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/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa: 1 curr_seq: _CGCGCUACCUCUCAGUGCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCGCUACCUCUCAGUGCA 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa: 1 curr_seq: _CGCGCUACCUCUCAGUGCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCGCUACCUCUCAGUGCA 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa: 1 curr_seq: _CGCGCUACCUCUCAGUGCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCGCUACCUCUCAGUGCA 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa: 1 curr_seq: _CGCGCUACCUCUCAGUGCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCGCUACCUCUCAGUGCA 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa: 1 curr_seq: _CGCGCUACCUCUCAGUGCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCGCUACCUCUCAGUGCA 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa: 1 curr_seq: _CGCGCUACCUCUCAGUGCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCGCUACCUCUCAGUGCA 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa: 1 curr_seq: _CGCGCUACCUCUCAGUGCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCGCUACCUCUCAGUGCA 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa: 1 curr_seq: _CGCGCUACCUCUCAGUGCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCGCUACCUCUCAGUGCA 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa: 1 curr_seq: _CGCGCUACCUCUCAGUGCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCGCUACCUCUCAGUGCA 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa first_line: R number of RNA chain(s) decalred/expected in file: /home/simrnaweb/SimRNAWeb/SIMULATIONS/16160_5_UTR_CAGUGN-603ba8c3/inputs/seq.fa: 1 curr_seq: _CGCGCUACCUCUCAGUGCA_ chainIds_rna: _A_, chainIds_protein: __ chainId: A, chainSeq: CGCGCUACCUCUCAGUGCA 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 19 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: 100 n_atoms_counter: 100 Fraction Of RNA Moves = 1.000000 Fraction Of Protein Moves = 0.000000 EntireStructure::rnaStruct limitingSphereRadius : 19.000000 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: -72.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066716 (E_RNA) where: Base-Base interactions energy: -1.269 where: short stacking energy: -1.269 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 1 Temperature: 0.950000 Total energy: -72.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066716 (E_RNA) where: Base-Base interactions energy: -1.269 where: short stacking energy: -1.269 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 1 Temperature: 1.000000 Total energy: -72.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066716 (E_RNA) where: Base-Base interactions energy: -1.269 where: short stacking energy: -1.269 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 1 Temperature: 1.050000 Total energy: -72.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066716 (E_RNA) where: Base-Base interactions energy: -1.269 where: short stacking energy: -1.269 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 1 Temperature: 1.100000 Total energy: -72.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066716 (E_RNA) where: Base-Base interactions energy: -1.269 where: short stacking energy: -1.269 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 1 Temperature: 1.150000 Total energy: -72.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066716 (E_RNA) where: Base-Base interactions energy: -1.269 where: short stacking energy: -1.269 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 1 Temperature: 1.200000 Total energy: -72.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066716 (E_RNA) where: Base-Base interactions energy: -1.269 where: short stacking energy: -1.269 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 1 Temperature: 1.250000 Total energy: -72.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066716 (E_RNA) where: Base-Base interactions energy: -1.269 where: short stacking energy: -1.269 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 1 Temperature: 1.300000 Total energy: -72.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066716 (E_RNA) where: Base-Base interactions energy: -1.269 where: short stacking energy: -1.269 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 1 Temperature: 1.350000 Total energy: -72.066716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.066716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.066716 (E_RNA) where: Base-Base interactions energy: -1.269 where: short stacking energy: -1.269 Base-Backbone interact. energy: -0.000 local terms energy: -70.797692 where: bonds (distance) C4'-P energy: -18.460 bonds (distance) P-C4' energy: -17.893 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -15.958 tors. eta vs tors. theta energy: -4.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 2 Temperature: 0.900000 Total energy: -132.043307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.043307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.043307 (E_RNA) where: Base-Base interactions energy: -64.228 where: short stacking energy: -64.228 Base-Backbone interact. energy: -0.004 local terms energy: -67.810737 where: bonds (distance) C4'-P energy: -14.651 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -11.521 tors. eta vs tors. theta energy: -18.083 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: 2 ===================================== Write number: 2 Temperature: 0.950000 Total energy: -124.708545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -124.708545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -124.708545 (E_RNA) where: Base-Base interactions energy: -56.367 where: short stacking energy: -56.367 Base-Backbone interact. energy: -0.001 local terms energy: -68.340937 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -14.788 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -16.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 2 Temperature: 1.000000 Total energy: -143.393055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.393055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.393055 (E_RNA) where: Base-Base interactions energy: -85.641 where: short stacking energy: -51.001 Base-Backbone interact. energy: -0.210 local terms energy: -57.542227 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -9.754 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -10.078 tors. eta vs tors. theta energy: -10.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 2 Temperature: 1.050000 Total energy: -97.277068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.277068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.277068 (E_RNA) where: Base-Base interactions energy: -44.506 where: short stacking energy: -37.523 Base-Backbone interact. energy: -0.002 local terms energy: -52.768996 where: bonds (distance) C4'-P energy: -12.181 bonds (distance) P-C4' energy: -16.901 flat angles C4'-P-C4' energy: -11.610 flat angles P-C4'-P energy: -7.442 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 2 Temperature: 1.100000 Total energy: -93.108878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.108878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.108878 (E_RNA) where: Base-Base interactions energy: -36.152 where: short stacking energy: -29.535 Base-Backbone interact. energy: -0.036 local terms energy: -56.921274 where: bonds (distance) C4'-P energy: -13.398 bonds (distance) P-C4' energy: -15.563 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -6.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 2 Temperature: 1.150000 Total energy: -94.439269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.439269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.439269 (E_RNA) where: Base-Base interactions energy: -36.912 where: short stacking energy: -36.912 Base-Backbone interact. energy: 0.247 local terms energy: -57.774503 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -16.000 flat angles C4'-P-C4' energy: -12.921 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -7.865 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: 7 ===================================== Write number: 2 Temperature: 1.200000 Total energy: -89.089964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.089964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.089964 (E_RNA) where: Base-Base interactions energy: -47.323 where: short stacking energy: -34.800 Base-Backbone interact. energy: -0.039 local terms energy: -41.728337 where: bonds (distance) C4'-P energy: -12.260 bonds (distance) P-C4' energy: -8.080 flat angles C4'-P-C4' energy: -7.926 flat angles P-C4'-P energy: -9.168 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: 8 ===================================== Write number: 2 Temperature: 1.250000 Total energy: -79.295976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.295976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.295976 (E_RNA) where: Base-Base interactions energy: -28.065 where: short stacking energy: -19.120 Base-Backbone interact. energy: -0.456 local terms energy: -50.775304 where: bonds (distance) C4'-P energy: -13.765 bonds (distance) P-C4' energy: -12.289 flat angles C4'-P-C4' energy: -9.866 flat angles P-C4'-P energy: -9.042 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 2 Temperature: 1.300000 Total energy: -75.727506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.727506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.727506 (E_RNA) where: Base-Base interactions energy: -39.534 where: short stacking energy: -31.078 Base-Backbone interact. energy: -0.042 local terms energy: -36.151838 where: bonds (distance) C4'-P energy: -9.650 bonds (distance) P-C4' energy: -7.014 flat angles C4'-P-C4' energy: -7.946 flat angles P-C4'-P energy: -8.240 tors. eta vs tors. theta energy: -3.301 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: 10 ===================================== Write number: 2 Temperature: 1.350000 Total energy: -71.809792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.809792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.809792 (E_RNA) where: Base-Base interactions energy: -43.032 where: short stacking energy: -32.647 Base-Backbone interact. energy: -0.782 local terms energy: -27.996012 where: bonds (distance) C4'-P energy: -6.073 bonds (distance) P-C4' energy: -11.998 flat angles C4'-P-C4' energy: -7.761 flat angles P-C4'-P energy: 1.462 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: 1, replica: 1 ===================================== Write number: 3 Temperature: 0.900000 Total energy: -131.245746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.245746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.245746 (E_RNA) where: Base-Base interactions energy: -64.739 where: short stacking energy: -51.182 Base-Backbone interact. energy: -0.002 local terms energy: -66.504571 where: bonds (distance) C4'-P energy: -15.186 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -15.019 flat angles P-C4'-P energy: -10.086 tors. eta vs tors. theta energy: -9.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 3 Temperature: 0.950000 Total energy: -145.506072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.506072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.506072 (E_RNA) where: Base-Base interactions energy: -82.295 where: short stacking energy: -50.833 Base-Backbone interact. energy: -0.912 local terms energy: -62.299177 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -16.586 flat angles P-C4'-P energy: -5.585 tors. eta vs tors. theta energy: -13.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 3 Temperature: 1.000000 Total energy: -116.944134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.944134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.944134 (E_RNA) where: Base-Base interactions energy: -56.306 where: short stacking energy: -52.551 Base-Backbone interact. energy: -0.001 local terms energy: -60.637711 where: bonds (distance) C4'-P energy: -10.606 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -10.740 tors. eta vs tors. theta energy: -12.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 3 Temperature: 1.050000 Total energy: -100.669565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.669565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.669565 (E_RNA) where: Base-Base interactions energy: -44.269 where: short stacking energy: -26.550 Base-Backbone interact. energy: -0.130 local terms energy: -56.271318 where: bonds (distance) C4'-P energy: -15.696 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -6.771 flat angles P-C4'-P energy: -11.433 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 3 Temperature: 1.100000 Total energy: -99.838264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.838264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.838264 (E_RNA) where: Base-Base interactions energy: -42.959 where: short stacking energy: -37.381 Base-Backbone interact. energy: -0.358 local terms energy: -56.521306 where: bonds (distance) C4'-P energy: -12.706 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -11.724 flat angles P-C4'-P energy: -6.888 tors. eta vs tors. theta energy: -10.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 3 Temperature: 1.150000 Total energy: -86.562803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.562803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.562803 (E_RNA) where: Base-Base interactions energy: -30.519 where: short stacking energy: -28.326 Base-Backbone interact. energy: -0.104 local terms energy: -55.939327 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -13.959 flat angles P-C4'-P energy: -8.563 tors. eta vs tors. theta energy: -5.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 3 Temperature: 1.200000 Total energy: -95.466890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.466890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.466890 (E_RNA) where: Base-Base interactions energy: -41.409 where: short stacking energy: -27.584 Base-Backbone interact. energy: -0.148 local terms energy: -53.909552 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -8.638 tors. eta vs tors. theta energy: -7.707 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: 8, replica: 9 ===================================== Write number: 3 Temperature: 1.250000 Total energy: -79.462674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.462674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.462674 (E_RNA) where: Base-Base interactions energy: -24.397 where: short stacking energy: -24.397 Base-Backbone interact. energy: -0.063 local terms energy: -55.002892 where: bonds (distance) C4'-P energy: -13.310 bonds (distance) P-C4' energy: -14.530 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -7.522 tors. eta vs tors. theta energy: -7.222 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: 3 Temperature: 1.300000 Total energy: -80.484733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.484733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.484733 (E_RNA) where: Base-Base interactions energy: -28.870 where: short stacking energy: -24.515 Base-Backbone interact. energy: -0.375 local terms energy: -51.240160 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -11.057 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -11.557 tors. eta vs tors. theta energy: -2.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 3 Temperature: 1.350000 Total energy: -78.966515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.966515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.966515 (E_RNA) where: Base-Base interactions energy: -29.983 where: short stacking energy: -21.161 Base-Backbone interact. energy: -1.146 local terms energy: -47.837160 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -13.034 flat angles C4'-P-C4' energy: -15.306 flat angles P-C4'-P energy: -1.950 tors. eta vs tors. theta energy: -4.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 4 Temperature: 0.900000 Total energy: -171.422195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.422195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.422195 (E_RNA) where: Base-Base interactions energy: -107.226 where: short stacking energy: -57.945 Base-Backbone interact. energy: -0.285 local terms energy: -63.911288 where: bonds (distance) C4'-P energy: -15.252 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -13.508 flat angles P-C4'-P energy: -7.199 tors. eta vs tors. theta energy: -14.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 4 Temperature: 0.950000 Total energy: -120.800383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.800383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.800383 (E_RNA) where: Base-Base interactions energy: -55.198 where: short stacking energy: -41.875 Base-Backbone interact. energy: -0.290 local terms energy: -65.312580 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -14.469 flat angles C4'-P-C4' energy: -16.285 flat angles P-C4'-P energy: -9.910 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: 2 ===================================== Write number: 4 Temperature: 1.000000 Total energy: -115.617859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.617859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.617859 (E_RNA) where: Base-Base interactions energy: -50.618 where: short stacking energy: -50.618 Base-Backbone interact. energy: -0.000 local terms energy: -64.999554 where: bonds (distance) C4'-P energy: -13.181 bonds (distance) P-C4' energy: -15.318 flat angles C4'-P-C4' energy: -12.397 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -15.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 4 Temperature: 1.050000 Total energy: -106.692611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.692611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.692611 (E_RNA) where: Base-Base interactions energy: -54.004 where: short stacking energy: -49.174 Base-Backbone interact. energy: -1.069 local terms energy: -51.618879 where: bonds (distance) C4'-P energy: -10.557 bonds (distance) P-C4' energy: -13.301 flat angles C4'-P-C4' energy: -11.103 flat angles P-C4'-P energy: -9.115 tors. eta vs tors. theta energy: -7.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 4 Temperature: 1.100000 Total energy: -104.605889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.605889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.605889 (E_RNA) where: Base-Base interactions energy: -46.793 where: short stacking energy: -46.793 Base-Backbone interact. energy: -0.041 local terms energy: -57.771587 where: bonds (distance) C4'-P energy: -9.808 bonds (distance) P-C4' energy: -12.981 flat angles C4'-P-C4' energy: -13.629 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 4 Temperature: 1.150000 Total energy: -89.212400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.212400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.212400 (E_RNA) where: Base-Base interactions energy: -40.901 where: short stacking energy: -40.901 Base-Backbone interact. energy: -0.405 local terms energy: -47.906078 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -16.668 flat angles C4'-P-C4' energy: -1.919 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -6.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 4 Temperature: 1.200000 Total energy: -99.100786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.100786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.100786 (E_RNA) where: Base-Base interactions energy: -50.957 where: short stacking energy: -42.080 Base-Backbone interact. energy: -0.025 local terms energy: -48.118586 where: bonds (distance) C4'-P energy: -6.570 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -14.910 flat angles P-C4'-P energy: -5.724 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: 7 ===================================== Write number: 4 Temperature: 1.250000 Total energy: -80.755519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.755519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.755519 (E_RNA) where: Base-Base interactions energy: -33.391 where: short stacking energy: -33.136 Base-Backbone interact. energy: 0.293 local terms energy: -47.656630 where: bonds (distance) C4'-P energy: -7.950 bonds (distance) P-C4' energy: -11.996 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -6.415 tors. eta vs tors. theta energy: -8.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 4 Temperature: 1.300000 Total energy: -76.200846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.200846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.200846 (E_RNA) where: Base-Base interactions energy: -33.709 where: short stacking energy: -30.050 Base-Backbone interact. energy: -0.623 local terms energy: -41.869261 where: bonds (distance) C4'-P energy: -10.441 bonds (distance) P-C4' energy: -11.488 flat angles C4'-P-C4' energy: -8.531 flat angles P-C4'-P energy: -5.890 tors. eta vs tors. theta energy: -5.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 4 Temperature: 1.350000 Total energy: -82.563765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.563765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.563765 (E_RNA) where: Base-Base interactions energy: -34.641 where: short stacking energy: -24.654 Base-Backbone interact. energy: -0.125 local terms energy: -47.797579 where: bonds (distance) C4'-P energy: -12.585 bonds (distance) P-C4' energy: -11.978 flat angles C4'-P-C4' energy: -9.456 flat angles P-C4'-P energy: -9.437 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: 1, replica: 3 ===================================== Write number: 5 Temperature: 0.900000 Total energy: -165.119226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.119226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.119226 (E_RNA) where: Base-Base interactions energy: -103.196 where: short stacking energy: -52.091 Base-Backbone interact. energy: -0.010 local terms energy: -61.913858 where: bonds (distance) C4'-P energy: -11.931 bonds (distance) P-C4' energy: -13.044 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -8.353 tors. eta vs tors. theta energy: -14.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 5 Temperature: 0.950000 Total energy: -117.691405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.691405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.691405 (E_RNA) where: Base-Base interactions energy: -55.658 where: short stacking energy: -55.658 Base-Backbone interact. energy: -0.012 local terms energy: -62.021873 where: bonds (distance) C4'-P energy: -14.343 bonds (distance) P-C4' energy: -11.595 flat angles C4'-P-C4' energy: -16.002 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -11.146 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: 3, replica: 1 ===================================== Write number: 5 Temperature: 1.000000 Total energy: -109.790150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.790150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.790150 (E_RNA) where: Base-Base interactions energy: -41.789 where: short stacking energy: -41.407 Base-Backbone interact. energy: -0.304 local terms energy: -67.696207 where: bonds (distance) C4'-P energy: -15.145 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -11.417 flat angles P-C4'-P energy: -12.433 tors. eta vs tors. theta energy: -15.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 5 Temperature: 1.050000 Total energy: -99.686701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.686701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.686701 (E_RNA) where: Base-Base interactions energy: -41.352 where: short stacking energy: -41.278 Base-Backbone interact. energy: 0.054 local terms energy: -58.388793 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -3.957 tors. eta vs tors. theta energy: -11.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 5 Temperature: 1.100000 Total energy: -109.640948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.640948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.640948 (E_RNA) where: Base-Base interactions energy: -49.619 where: short stacking energy: -43.244 Base-Backbone interact. energy: -0.002 local terms energy: -60.020275 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -14.646 flat angles C4'-P-C4' energy: -10.727 flat angles P-C4'-P energy: -9.825 tors. eta vs tors. theta energy: -12.961 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: 9 ===================================== Write number: 5 Temperature: 1.150000 Total energy: -101.567790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.567790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.567790 (E_RNA) where: Base-Base interactions energy: -48.618 where: short stacking energy: -33.294 Base-Backbone interact. energy: -0.328 local terms energy: -52.621966 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -9.146 flat angles P-C4'-P energy: -5.010 tors. eta vs tors. theta energy: -8.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 5 Temperature: 1.200000 Total energy: -101.484204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.484204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.484204 (E_RNA) where: Base-Base interactions energy: -54.523 where: short stacking energy: -30.756 Base-Backbone interact. energy: -0.230 local terms energy: -46.731423 where: bonds (distance) C4'-P energy: -16.080 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -8.659 flat angles P-C4'-P energy: -8.800 tors. eta vs tors. theta energy: 2.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 5 Temperature: 1.250000 Total energy: -82.776564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.776564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.776564 (E_RNA) where: Base-Base interactions energy: -39.946 where: short stacking energy: -30.659 Base-Backbone interact. energy: -0.091 local terms energy: -42.738636 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -7.972 flat angles P-C4'-P energy: -7.503 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: 9, replica: 7 ===================================== Write number: 5 Temperature: 1.300000 Total energy: -70.822744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.822744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.822744 (E_RNA) where: Base-Base interactions energy: -22.477 where: short stacking energy: -22.477 Base-Backbone interact. energy: -0.027 local terms energy: -48.319407 where: bonds (distance) C4'-P energy: -10.877 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -11.173 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 5 Temperature: 1.350000 Total energy: -68.275335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.275335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.275335 (E_RNA) where: Base-Base interactions energy: -26.208 where: short stacking energy: -17.439 Base-Backbone interact. energy: 1.156 local terms energy: -43.222932 where: bonds (distance) C4'-P energy: -8.499 bonds (distance) P-C4' energy: -11.268 flat angles C4'-P-C4' energy: -14.150 flat angles P-C4'-P energy: -9.339 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: 1, replica: 3 ===================================== Write number: 6 Temperature: 0.900000 Total energy: -174.612877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.612877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.612877 (E_RNA) where: Base-Base interactions energy: -101.241 where: short stacking energy: -62.811 Base-Backbone interact. energy: -1.570 local terms energy: -71.801415 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -10.433 tors. eta vs tors. theta energy: -16.591 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: 2 ===================================== Write number: 6 Temperature: 0.950000 Total energy: -120.391041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.391041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.391041 (E_RNA) where: Base-Base interactions energy: -56.631 where: short stacking energy: -56.631 Base-Backbone interact. energy: -0.000 local terms energy: -63.759171 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -13.457 flat angles C4'-P-C4' energy: -16.025 flat angles P-C4'-P energy: -7.604 tors. eta vs tors. theta energy: -13.586 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: 1 ===================================== Write number: 6 Temperature: 1.000000 Total energy: -111.550469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.550469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.550469 (E_RNA) where: Base-Base interactions energy: -48.531 where: short stacking energy: -48.531 Base-Backbone interact. energy: -0.097 local terms energy: -62.922394 where: bonds (distance) C4'-P energy: -12.090 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -16.928 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -12.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 6 Temperature: 1.050000 Total energy: -115.293423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.293423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.293423 (E_RNA) where: Base-Base interactions energy: -56.101 where: short stacking energy: -44.327 Base-Backbone interact. energy: -0.192 local terms energy: -58.999629 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -10.427 flat angles C4'-P-C4' energy: -15.249 flat angles P-C4'-P energy: -6.774 tors. eta vs tors. theta energy: -11.654 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: 5 ===================================== Write number: 6 Temperature: 1.100000 Total energy: -119.638722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.638722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.638722 (E_RNA) where: Base-Base interactions energy: -56.971 where: short stacking energy: -53.936 Base-Backbone interact. energy: -0.003 local terms energy: -62.664898 where: bonds (distance) C4'-P energy: -15.182 bonds (distance) P-C4' energy: -12.196 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -6.510 tors. eta vs tors. theta energy: -14.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 6 Temperature: 1.150000 Total energy: -110.399896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.399896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.399896 (E_RNA) where: Base-Base interactions energy: -56.385 where: short stacking energy: -39.369 Base-Backbone interact. energy: -0.180 local terms energy: -53.835627 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -9.044 flat angles P-C4'-P energy: -10.224 tors. eta vs tors. theta energy: -7.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 6 Temperature: 1.200000 Total energy: -85.461724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.461724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.461724 (E_RNA) where: Base-Base interactions energy: -36.641 where: short stacking energy: -37.841 Base-Backbone interact. energy: -0.201 local terms energy: -48.620316 where: bonds (distance) C4'-P energy: -9.277 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -12.096 flat angles P-C4'-P energy: -8.691 tors. eta vs tors. theta energy: -5.472 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 6 Temperature: 1.250000 Total energy: -82.498621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.498621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.498621 (E_RNA) where: Base-Base interactions energy: -35.202 where: short stacking energy: -28.223 Base-Backbone interact. energy: 0.503 local terms energy: -47.798886 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -10.755 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -5.051 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: 9, replica: 8 ===================================== Write number: 6 Temperature: 1.300000 Total energy: -97.790699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.790699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.790699 (E_RNA) where: Base-Base interactions energy: -39.614 where: short stacking energy: -35.413 Base-Backbone interact. energy: -0.009 local terms energy: -58.167628 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -10.940 flat angles P-C4'-P energy: -8.398 tors. eta vs tors. theta energy: -8.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 6 Temperature: 1.350000 Total energy: -70.092244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.092244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.092244 (E_RNA) where: Base-Base interactions energy: -22.405 where: short stacking energy: -22.505 Base-Backbone interact. energy: -0.118 local terms energy: -47.568584 where: bonds (distance) C4'-P energy: -10.943 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -8.744 flat angles P-C4'-P energy: -8.347 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: 1, replica: 3 ===================================== Write number: 7 Temperature: 0.900000 Total energy: -180.129434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.129434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.129434 (E_RNA) where: Base-Base interactions energy: -114.294 where: short stacking energy: -61.579 Base-Backbone interact. energy: -0.587 local terms energy: -65.248155 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -10.877 flat angles C4'-P-C4' energy: -12.671 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -18.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 7 Temperature: 0.950000 Total energy: -121.615122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.615122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.615122 (E_RNA) where: Base-Base interactions energy: -54.031 where: short stacking energy: -54.031 Base-Backbone interact. energy: -0.001 local terms energy: -67.582265 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -8.799 tors. eta vs tors. theta energy: -13.974 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: 2 ===================================== Write number: 7 Temperature: 1.000000 Total energy: -103.585149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.585149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.585149 (E_RNA) where: Base-Base interactions energy: -49.022 where: short stacking energy: -36.357 Base-Backbone interact. energy: -0.315 local terms energy: -54.248595 where: bonds (distance) C4'-P energy: -12.107 bonds (distance) P-C4' energy: -15.896 flat angles C4'-P-C4' energy: -11.987 flat angles P-C4'-P energy: -8.319 tors. eta vs tors. theta energy: -5.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 7 Temperature: 1.050000 Total energy: -139.793501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.793501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.793501 (E_RNA) where: Base-Base interactions energy: -88.778 where: short stacking energy: -53.137 Base-Backbone interact. energy: 2.984 local terms energy: -53.999266 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -13.552 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -4.861 tors. eta vs tors. theta energy: -10.703 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: 7 Temperature: 1.100000 Total energy: -104.718477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.718477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.718477 (E_RNA) where: Base-Base interactions energy: -43.859 where: short stacking energy: -40.409 Base-Backbone interact. energy: -0.017 local terms energy: -60.842526 where: bonds (distance) C4'-P energy: -13.811 bonds (distance) P-C4' energy: -13.751 flat angles C4'-P-C4' energy: -11.833 flat angles P-C4'-P energy: -8.224 tors. eta vs tors. theta energy: -13.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 7 Temperature: 1.150000 Total energy: -93.714357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.714357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.714357 (E_RNA) where: Base-Base interactions energy: -34.199 where: short stacking energy: -29.605 Base-Backbone interact. energy: -0.119 local terms energy: -59.396200 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -13.744 flat angles C4'-P-C4' energy: -15.444 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -8.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 7 Temperature: 1.200000 Total energy: -89.227311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.227311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.227311 (E_RNA) where: Base-Base interactions energy: -39.331 where: short stacking energy: -29.201 Base-Backbone interact. energy: -0.009 local terms energy: -49.887247 where: bonds (distance) C4'-P energy: -13.990 bonds (distance) P-C4' energy: -12.481 flat angles C4'-P-C4' energy: -13.150 flat angles P-C4'-P energy: -4.852 tors. eta vs tors. theta energy: -5.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 7 Temperature: 1.250000 Total energy: -100.217467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.217467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.217467 (E_RNA) where: Base-Base interactions energy: -39.203 where: short stacking energy: -39.203 Base-Backbone interact. energy: -0.007 local terms energy: -61.007968 where: bonds (distance) C4'-P energy: -11.489 bonds (distance) P-C4' energy: -13.414 flat angles C4'-P-C4' energy: -13.555 flat angles P-C4'-P energy: -10.397 tors. eta vs tors. theta energy: -12.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 7 Temperature: 1.300000 Total energy: -90.664155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.664155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.664155 (E_RNA) where: Base-Base interactions energy: -36.420 where: short stacking energy: -26.825 Base-Backbone interact. energy: -0.058 local terms energy: -54.185356 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -12.338 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: 10, replica: 7 ===================================== Write number: 7 Temperature: 1.350000 Total energy: -78.009699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.009699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.009699 (E_RNA) where: Base-Base interactions energy: -44.899 where: short stacking energy: -30.547 Base-Backbone interact. energy: -0.107 local terms energy: -33.003405 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -9.889 flat angles C4'-P-C4' energy: -7.800 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -0.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 8 Temperature: 0.900000 Total energy: -182.346907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.346907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.346907 (E_RNA) where: Base-Base interactions energy: -113.977 where: short stacking energy: -63.675 Base-Backbone interact. energy: -0.112 local terms energy: -68.258091 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -15.336 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -18.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 8 Temperature: 0.950000 Total energy: -126.215574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.215574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.215574 (E_RNA) where: Base-Base interactions energy: -73.890 where: short stacking energy: -43.298 Base-Backbone interact. energy: -0.326 local terms energy: -51.999127 where: bonds (distance) C4'-P energy: -12.595 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -12.261 flat angles P-C4'-P energy: -7.760 tors. eta vs tors. theta energy: -7.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 8 Temperature: 1.000000 Total energy: -132.257607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.257607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.257607 (E_RNA) where: Base-Base interactions energy: -68.134 where: short stacking energy: -46.322 Base-Backbone interact. energy: 0.901 local terms energy: -65.024738 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -12.828 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: 5 ===================================== Write number: 8 Temperature: 1.050000 Total energy: -110.131311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.131311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.131311 (E_RNA) where: Base-Base interactions energy: -56.331 where: short stacking energy: -25.624 Base-Backbone interact. energy: 0.144 local terms energy: -53.944927 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -14.543 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -7.021 tors. eta vs tors. theta energy: -3.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 8 Temperature: 1.100000 Total energy: -95.913046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.913046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.913046 (E_RNA) where: Base-Base interactions energy: -40.618 where: short stacking energy: -40.618 Base-Backbone interact. energy: -0.098 local terms energy: -55.197104 where: bonds (distance) C4'-P energy: -7.581 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -11.479 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: 6, replica: 9 ===================================== Write number: 8 Temperature: 1.150000 Total energy: -98.707201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.707201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.707201 (E_RNA) where: Base-Base interactions energy: -41.820 where: short stacking energy: -41.820 Base-Backbone interact. energy: -0.001 local terms energy: -56.886921 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -15.772 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -7.967 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: 7, replica: 8 ===================================== Write number: 8 Temperature: 1.200000 Total energy: -84.127143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.127143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.127143 (E_RNA) where: Base-Base interactions energy: -28.840 where: short stacking energy: -28.840 Base-Backbone interact. energy: -0.095 local terms energy: -55.192010 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -12.296 flat angles C4'-P-C4' energy: -12.346 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -4.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 8 Temperature: 1.250000 Total energy: -81.891794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.891794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.891794 (E_RNA) where: Base-Base interactions energy: -46.347 where: short stacking energy: -32.267 Base-Backbone interact. energy: -0.220 local terms energy: -35.323989 where: bonds (distance) C4'-P energy: -10.495 bonds (distance) P-C4' energy: -12.162 flat angles C4'-P-C4' energy: -9.476 flat angles P-C4'-P energy: -1.384 tors. eta vs tors. theta energy: -1.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 8 Temperature: 1.300000 Total energy: -81.874725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.874725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.874725 (E_RNA) where: Base-Base interactions energy: -40.200 where: short stacking energy: -27.470 Base-Backbone interact. energy: -0.691 local terms energy: -40.983408 where: bonds (distance) C4'-P energy: -8.967 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -6.495 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: 10, replica: 4 ===================================== Write number: 8 Temperature: 1.350000 Total energy: -72.945001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.945001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.945001 (E_RNA) where: Base-Base interactions energy: -29.347 where: short stacking energy: -28.614 Base-Backbone interact. energy: -0.068 local terms energy: -43.530357 where: bonds (distance) C4'-P energy: -11.618 bonds (distance) P-C4' energy: -12.019 flat angles C4'-P-C4' energy: -8.504 flat angles P-C4'-P energy: -8.574 tors. eta vs tors. theta energy: -2.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 9 Temperature: 0.900000 Total energy: -179.122428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.122428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.122428 (E_RNA) where: Base-Base interactions energy: -105.081 where: short stacking energy: -62.322 Base-Backbone interact. energy: -0.039 local terms energy: -74.002454 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -15.790 flat angles P-C4'-P energy: -10.704 tors. eta vs tors. theta energy: -21.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 9 Temperature: 0.950000 Total energy: -133.991357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -133.991357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -133.991357 (E_RNA) where: Base-Base interactions energy: -72.815 where: short stacking energy: -37.563 Base-Backbone interact. energy: 0.074 local terms energy: -61.251041 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -9.530 tors. eta vs tors. theta energy: -7.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 9 Temperature: 1.000000 Total energy: -173.338864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.338864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.338864 (E_RNA) where: Base-Base interactions energy: -113.679 where: short stacking energy: -59.693 Base-Backbone interact. energy: -0.065 local terms energy: -59.594656 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -10.848 flat angles C4'-P-C4' energy: -11.680 flat angles P-C4'-P energy: -10.392 tors. eta vs tors. theta energy: -12.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 9 Temperature: 1.050000 Total energy: -110.728926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.728926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.728926 (E_RNA) where: Base-Base interactions energy: -47.813 where: short stacking energy: -36.403 Base-Backbone interact. energy: -0.030 local terms energy: -62.885633 where: bonds (distance) C4'-P energy: -13.488 bonds (distance) P-C4' energy: -17.126 flat angles C4'-P-C4' energy: -10.336 flat angles P-C4'-P energy: -10.168 tors. eta vs tors. theta energy: -11.768 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 9 Temperature: 1.100000 Total energy: -122.032471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.032471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.032471 (E_RNA) where: Base-Base interactions energy: -72.261 where: short stacking energy: -35.821 Base-Backbone interact. energy: -0.064 local terms energy: -49.707084 where: bonds (distance) C4'-P energy: -11.302 bonds (distance) P-C4' energy: -14.884 flat angles C4'-P-C4' energy: -9.685 flat angles P-C4'-P energy: -5.486 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: 6, replica: 8 ===================================== Write number: 9 Temperature: 1.150000 Total energy: -94.295306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.295306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.295306 (E_RNA) where: Base-Base interactions energy: -40.361 where: short stacking energy: -40.361 Base-Backbone interact. energy: -0.058 local terms energy: -53.876274 where: bonds (distance) C4'-P energy: -11.150 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -14.969 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -7.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 9 Temperature: 1.200000 Total energy: -86.903743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.903743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.903743 (E_RNA) where: Base-Base interactions energy: -30.650 where: short stacking energy: -30.119 Base-Backbone interact. energy: -0.006 local terms energy: -56.248371 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -12.715 flat angles P-C4'-P energy: -6.340 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: 8, replica: 7 ===================================== Write number: 9 Temperature: 1.250000 Total energy: -88.572241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.572241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.572241 (E_RNA) where: Base-Base interactions energy: -35.949 where: short stacking energy: -35.949 Base-Backbone interact. energy: -0.001 local terms energy: -52.622183 where: bonds (distance) C4'-P energy: -8.889 bonds (distance) P-C4' energy: -10.798 flat angles C4'-P-C4' energy: -14.688 flat angles P-C4'-P energy: -8.244 tors. eta vs tors. theta energy: -10.002 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: 10 ===================================== Write number: 9 Temperature: 1.300000 Total energy: -87.215546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.215546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.215546 (E_RNA) where: Base-Base interactions energy: -38.154 where: short stacking energy: -25.588 Base-Backbone interact. energy: -0.047 local terms energy: -49.013970 where: bonds (distance) C4'-P energy: -13.136 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -3.913 tors. eta vs tors. theta energy: -5.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 9 Temperature: 1.350000 Total energy: -81.801698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.801698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.801698 (E_RNA) where: Base-Base interactions energy: -38.310 where: short stacking energy: -22.771 Base-Backbone interact. energy: -0.279 local terms energy: -43.212563 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -13.293 flat angles C4'-P-C4' energy: -10.023 flat angles P-C4'-P energy: -5.532 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: 1, replica: 3 ===================================== Write number: 10 Temperature: 0.900000 Total energy: -175.641777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.641777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.641777 (E_RNA) where: Base-Base interactions energy: -108.454 where: short stacking energy: -57.970 Base-Backbone interact. energy: -0.136 local terms energy: -67.051912 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -6.972 tors. eta vs tors. theta energy: -17.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 10 Temperature: 0.950000 Total energy: -135.047427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.047427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.047427 (E_RNA) where: Base-Base interactions energy: -72.762 where: short stacking energy: -50.035 Base-Backbone interact. energy: -0.005 local terms energy: -62.280807 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -13.545 flat angles P-C4'-P energy: -9.559 tors. eta vs tors. theta energy: -13.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 10 Temperature: 1.000000 Total energy: -178.591001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.591001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.591001 (E_RNA) where: Base-Base interactions energy: -115.562 where: short stacking energy: -47.306 Base-Backbone interact. energy: -0.207 local terms energy: -62.821794 where: bonds (distance) C4'-P energy: -11.596 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -14.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 10 Temperature: 1.050000 Total energy: -116.780440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.780440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.780440 (E_RNA) where: Base-Base interactions energy: -60.304 where: short stacking energy: -48.396 Base-Backbone interact. energy: -0.103 local terms energy: -56.373697 where: bonds (distance) C4'-P energy: -10.593 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -11.069 flat angles P-C4'-P energy: -9.535 tors. eta vs tors. theta energy: -12.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 10 Temperature: 1.100000 Total energy: -100.680667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.680667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.680667 (E_RNA) where: Base-Base interactions energy: -45.147 where: short stacking energy: -45.147 Base-Backbone interact. energy: -0.058 local terms energy: -55.476208 where: bonds (distance) C4'-P energy: -10.082 bonds (distance) P-C4' energy: -12.282 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -9.489 tors. eta vs tors. theta energy: -12.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 10 Temperature: 1.150000 Total energy: -90.729219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.729219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.729219 (E_RNA) where: Base-Base interactions energy: -37.324 where: short stacking energy: -37.324 Base-Backbone interact. energy: -0.045 local terms energy: -53.360361 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -11.955 flat angles C4'-P-C4' energy: -14.585 flat angles P-C4'-P energy: -5.678 tors. eta vs tors. theta energy: -8.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 10 Temperature: 1.200000 Total energy: -95.377928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.377928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.377928 (E_RNA) where: Base-Base interactions energy: -43.406 where: short stacking energy: -27.813 Base-Backbone interact. energy: 0.402 local terms energy: -52.373895 where: bonds (distance) C4'-P energy: -10.010 bonds (distance) P-C4' energy: -14.672 flat angles C4'-P-C4' energy: -14.488 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -4.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 10 Temperature: 1.250000 Total energy: -80.834638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.834638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.834638 (E_RNA) where: Base-Base interactions energy: -29.972 where: short stacking energy: -26.527 Base-Backbone interact. energy: -0.218 local terms energy: -50.644222 where: bonds (distance) C4'-P energy: -14.073 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -12.427 flat angles P-C4'-P energy: -8.707 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: 9, replica: 4 ===================================== Write number: 10 Temperature: 1.300000 Total energy: -73.947410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.947410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.947410 (E_RNA) where: Base-Base interactions energy: -31.369 where: short stacking energy: -31.369 Base-Backbone interact. energy: -0.106 local terms energy: -42.472610 where: bonds (distance) C4'-P energy: -9.821 bonds (distance) P-C4' energy: -11.316 flat angles C4'-P-C4' energy: -8.676 flat angles P-C4'-P energy: -6.589 tors. eta vs tors. theta energy: -6.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 10 Temperature: 1.350000 Total energy: -84.201095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.201095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.201095 (E_RNA) where: Base-Base interactions energy: -36.705 where: short stacking energy: -30.366 Base-Backbone interact. energy: 0.463 local terms energy: -47.959675 where: bonds (distance) C4'-P energy: -11.849 bonds (distance) P-C4' energy: -11.369 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -3.369 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: 1, replica: 3 ===================================== Write number: 11 Temperature: 0.900000 Total energy: -180.384310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.384310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.384310 (E_RNA) where: Base-Base interactions energy: -112.372 where: short stacking energy: -60.385 Base-Backbone interact. energy: -0.097 local terms energy: -67.915173 where: bonds (distance) C4'-P energy: -10.831 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -15.020 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -18.732 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: 1 ===================================== Write number: 11 Temperature: 0.950000 Total energy: -173.935715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.935715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.935715 (E_RNA) where: Base-Base interactions energy: -108.369 where: short stacking energy: -49.812 Base-Backbone interact. energy: -0.092 local terms energy: -65.475093 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -11.661 flat angles P-C4'-P energy: -10.201 tors. eta vs tors. theta energy: -14.584 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: 2 ===================================== Write number: 11 Temperature: 1.000000 Total energy: -141.699208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.699208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.699208 (E_RNA) where: Base-Base interactions energy: -79.822 where: short stacking energy: -49.752 Base-Backbone interact. energy: -0.503 local terms energy: -61.374524 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -13.699 flat angles P-C4'-P energy: -9.185 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: 4, replica: 6 ===================================== Write number: 11 Temperature: 1.050000 Total energy: -122.413424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.413424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.413424 (E_RNA) where: Base-Base interactions energy: -63.202 where: short stacking energy: -45.586 Base-Backbone interact. energy: -1.232 local terms energy: -57.979896 where: bonds (distance) C4'-P energy: -9.492 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -10.948 flat angles P-C4'-P energy: -12.282 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: 5, replica: 5 ===================================== Write number: 11 Temperature: 1.100000 Total energy: -92.458403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.458403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.458403 (E_RNA) where: Base-Base interactions energy: -37.370 where: short stacking energy: -33.059 Base-Backbone interact. energy: -0.014 local terms energy: -55.074970 where: bonds (distance) C4'-P energy: -12.524 bonds (distance) P-C4' energy: -12.904 flat angles C4'-P-C4' energy: -14.293 flat angles P-C4'-P energy: -10.000 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: 6, replica: 8 ===================================== Write number: 11 Temperature: 1.150000 Total energy: -91.850822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.850822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.850822 (E_RNA) where: Base-Base interactions energy: -43.076 where: short stacking energy: -43.076 Base-Backbone interact. energy: -0.006 local terms energy: -48.768358 where: bonds (distance) C4'-P energy: -10.942 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -2.180 tors. eta vs tors. theta energy: -7.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 11 Temperature: 1.200000 Total energy: -91.819946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.819946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.819946 (E_RNA) where: Base-Base interactions energy: -45.631 where: short stacking energy: -34.593 Base-Backbone interact. energy: -1.203 local terms energy: -44.985568 where: bonds (distance) C4'-P energy: -10.342 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -12.185 flat angles P-C4'-P energy: -3.143 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: 8, replica: 9 ===================================== Write number: 11 Temperature: 1.250000 Total energy: -94.758511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.758511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.758511 (E_RNA) where: Base-Base interactions energy: -43.349 where: short stacking energy: -35.018 Base-Backbone interact. energy: 0.612 local terms energy: -52.021912 where: bonds (distance) C4'-P energy: -12.027 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -9.135 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 11 Temperature: 1.300000 Total energy: -78.933334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.933334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.933334 (E_RNA) where: Base-Base interactions energy: -29.135 where: short stacking energy: -29.135 Base-Backbone interact. energy: -0.470 local terms energy: -49.328890 where: bonds (distance) C4'-P energy: -10.558 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -11.530 flat angles P-C4'-P energy: -9.075 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: 10 ===================================== Write number: 11 Temperature: 1.350000 Total energy: -73.432900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.432900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.432900 (E_RNA) where: Base-Base interactions energy: -24.882 where: short stacking energy: -21.003 Base-Backbone interact. energy: -0.942 local terms energy: -47.608826 where: bonds (distance) C4'-P energy: -10.810 bonds (distance) P-C4' energy: -11.984 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -6.714 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: 1, replica: 1 ===================================== Write number: 12 Temperature: 0.900000 Total energy: -199.240245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.240245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.240245 (E_RNA) where: Base-Base interactions energy: -129.618 where: short stacking energy: -58.700 Base-Backbone interact. energy: -0.001 local terms energy: -69.621716 where: bonds (distance) C4'-P energy: -11.850 bonds (distance) P-C4' energy: -16.392 flat angles C4'-P-C4' energy: -16.214 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -16.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 12 Temperature: 0.950000 Total energy: -166.010702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.010702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.010702 (E_RNA) where: Base-Base interactions energy: -108.161 where: short stacking energy: -50.982 Base-Backbone interact. energy: -0.058 local terms energy: -57.791115 where: bonds (distance) C4'-P energy: -10.938 bonds (distance) P-C4' energy: -12.225 flat angles C4'-P-C4' energy: -15.525 flat angles P-C4'-P energy: -7.966 tors. eta vs tors. theta energy: -11.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 12 Temperature: 1.000000 Total energy: -139.561403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.561403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.561403 (E_RNA) where: Base-Base interactions energy: -90.097 where: short stacking energy: -43.317 Base-Backbone interact. energy: -0.119 local terms energy: -49.345619 where: bonds (distance) C4'-P energy: -12.188 bonds (distance) P-C4' energy: -13.824 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -7.194 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: 4, replica: 2 ===================================== Write number: 12 Temperature: 1.050000 Total energy: -142.577091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.577091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.577091 (E_RNA) where: Base-Base interactions energy: -81.550 where: short stacking energy: -45.960 Base-Backbone interact. energy: -0.006 local terms energy: -61.021383 where: bonds (distance) C4'-P energy: -12.441 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -13.656 flat angles P-C4'-P energy: -10.300 tors. eta vs tors. theta energy: -11.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 12 Temperature: 1.100000 Total energy: -106.806334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.806334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.806334 (E_RNA) where: Base-Base interactions energy: -49.059 where: short stacking energy: -48.501 Base-Backbone interact. energy: -0.002 local terms energy: -57.744894 where: bonds (distance) C4'-P energy: -11.858 bonds (distance) P-C4' energy: -12.458 flat angles C4'-P-C4' energy: -16.275 flat angles P-C4'-P energy: -9.413 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: 6, replica: 5 ===================================== Write number: 12 Temperature: 1.150000 Total energy: -92.218034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.218034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.218034 (E_RNA) where: Base-Base interactions energy: -49.314 where: short stacking energy: -33.475 Base-Backbone interact. energy: -0.228 local terms energy: -42.675642 where: bonds (distance) C4'-P energy: -7.463 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: 0.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 12 Temperature: 1.200000 Total energy: -91.271110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.271110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.271110 (E_RNA) where: Base-Base interactions energy: -46.296 where: short stacking energy: -27.559 Base-Backbone interact. energy: -0.202 local terms energy: -44.773375 where: bonds (distance) C4'-P energy: -8.033 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -0.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 12 Temperature: 1.250000 Total energy: -84.169557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.169557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.169557 (E_RNA) where: Base-Base interactions energy: -30.851 where: short stacking energy: -30.325 Base-Backbone interact. energy: -0.746 local terms energy: -52.572701 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -9.379 flat angles C4'-P-C4' energy: -14.609 flat angles P-C4'-P energy: -11.314 tors. eta vs tors. theta energy: -5.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 12 Temperature: 1.300000 Total energy: -69.479804 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.479804 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.479804 (E_RNA) where: Base-Base interactions energy: -31.105 where: short stacking energy: -15.054 Base-Backbone interact. energy: -0.377 local terms energy: -37.997777 where: bonds (distance) C4'-P energy: -12.168 bonds (distance) P-C4' energy: -11.204 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -3.411 tors. eta vs tors. theta energy: 0.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 12 Temperature: 1.350000 Total energy: -76.795991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.795991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.795991 (E_RNA) where: Base-Base interactions energy: -29.757 where: short stacking energy: -28.615 Base-Backbone interact. energy: -0.873 local terms energy: -46.166362 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -11.670 flat angles P-C4'-P energy: -3.850 tors. eta vs tors. theta energy: -3.244 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 13 Temperature: 0.900000 Total energy: -189.622278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.622278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.622278 (E_RNA) where: Base-Base interactions energy: -120.028 where: short stacking energy: -53.676 Base-Backbone interact. energy: -0.095 local terms energy: -69.499196 where: bonds (distance) C4'-P energy: -16.076 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -13.946 flat angles P-C4'-P energy: -9.721 tors. eta vs tors. theta energy: -14.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 13 Temperature: 0.950000 Total energy: -164.423785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.423785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.423785 (E_RNA) where: Base-Base interactions energy: -105.953 where: short stacking energy: -63.136 Base-Backbone interact. energy: -0.303 local terms energy: -58.167738 where: bonds (distance) C4'-P energy: -14.428 bonds (distance) P-C4' energy: -8.402 flat angles C4'-P-C4' energy: -12.469 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -13.559 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: 6 ===================================== Write number: 13 Temperature: 1.000000 Total energy: -137.289255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.289255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.289255 (E_RNA) where: Base-Base interactions energy: -86.093 where: short stacking energy: -41.621 Base-Backbone interact. energy: -0.239 local terms energy: -50.956550 where: bonds (distance) C4'-P energy: -9.047 bonds (distance) P-C4' energy: -12.885 flat angles C4'-P-C4' energy: -11.280 flat angles P-C4'-P energy: -11.467 tors. eta vs tors. theta energy: -6.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 13 Temperature: 1.050000 Total energy: -143.534496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.534496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.534496 (E_RNA) where: Base-Base interactions energy: -80.593 where: short stacking energy: -52.763 Base-Backbone interact. energy: -0.015 local terms energy: -62.926698 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -9.644 tors. eta vs tors. theta energy: -15.169 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: 13 Temperature: 1.100000 Total energy: -105.746955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.746955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.746955 (E_RNA) where: Base-Base interactions energy: -53.585 where: short stacking energy: -35.377 Base-Backbone interact. energy: -0.299 local terms energy: -51.863349 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -6.952 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -10.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 13 Temperature: 1.150000 Total energy: -105.508009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.508009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.508009 (E_RNA) where: Base-Base interactions energy: -55.343 where: short stacking energy: -33.700 Base-Backbone interact. energy: -0.267 local terms energy: -49.898136 where: bonds (distance) C4'-P energy: -8.686 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -5.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 13 Temperature: 1.200000 Total energy: -84.510042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.510042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.510042 (E_RNA) where: Base-Base interactions energy: -38.092 where: short stacking energy: -36.205 Base-Backbone interact. energy: -0.097 local terms energy: -46.320976 where: bonds (distance) C4'-P energy: -11.000 bonds (distance) P-C4' energy: -10.466 flat angles C4'-P-C4' energy: -12.957 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -3.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 13 Temperature: 1.250000 Total energy: -80.025347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.025347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.025347 (E_RNA) where: Base-Base interactions energy: -26.795 where: short stacking energy: -26.795 Base-Backbone interact. energy: -0.282 local terms energy: -52.948641 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -9.142 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -7.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 13 Temperature: 1.300000 Total energy: -83.902870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.902870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.902870 (E_RNA) where: Base-Base interactions energy: -35.734 where: short stacking energy: -35.734 Base-Backbone interact. energy: -0.039 local terms energy: -48.129833 where: bonds (distance) C4'-P energy: -10.643 bonds (distance) P-C4' energy: -14.698 flat angles C4'-P-C4' energy: -9.578 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -5.369 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: 4 ===================================== Write number: 13 Temperature: 1.350000 Total energy: -68.534749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.534749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.534749 (E_RNA) where: Base-Base interactions energy: -20.044 where: short stacking energy: -20.044 Base-Backbone interact. energy: -0.198 local terms energy: -48.291834 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -12.316 flat angles P-C4'-P energy: -6.909 tors. eta vs tors. theta energy: -1.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 14 Temperature: 0.900000 Total energy: -195.001951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.001951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.001951 (E_RNA) where: Base-Base interactions energy: -127.950 where: short stacking energy: -60.506 Base-Backbone interact. energy: -0.284 local terms energy: -66.768155 where: bonds (distance) C4'-P energy: -14.511 bonds (distance) P-C4' energy: -13.063 flat angles C4'-P-C4' energy: -11.550 flat angles P-C4'-P energy: -7.668 tors. eta vs tors. theta energy: -19.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 14 Temperature: 0.950000 Total energy: -166.037497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.037497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.037497 (E_RNA) where: Base-Base interactions energy: -104.797 where: short stacking energy: -42.483 Base-Backbone interact. energy: -0.278 local terms energy: -60.962851 where: bonds (distance) C4'-P energy: -13.274 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -11.070 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -13.623 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: 2 ===================================== Write number: 14 Temperature: 1.000000 Total energy: -127.425094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.425094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.425094 (E_RNA) where: Base-Base interactions energy: -70.172 where: short stacking energy: -43.487 Base-Backbone interact. energy: -0.116 local terms energy: -57.136622 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -10.760 tors. eta vs tors. theta energy: -6.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 14 Temperature: 1.050000 Total energy: -109.325823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.325823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.325823 (E_RNA) where: Base-Base interactions energy: -53.059 where: short stacking energy: -45.494 Base-Backbone interact. energy: -0.186 local terms energy: -56.080772 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -12.392 flat angles C4'-P-C4' energy: -11.210 flat angles P-C4'-P energy: -10.235 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: 5, replica: 8 ===================================== Write number: 14 Temperature: 1.100000 Total energy: -105.211661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.211661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.211661 (E_RNA) where: Base-Base interactions energy: -43.239 where: short stacking energy: -43.239 Base-Backbone interact. energy: -0.016 local terms energy: -61.956272 where: bonds (distance) C4'-P energy: -13.629 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -9.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 14 Temperature: 1.150000 Total energy: -88.917309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.917309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.917309 (E_RNA) where: Base-Base interactions energy: -35.619 where: short stacking energy: -35.619 Base-Backbone interact. energy: -0.019 local terms energy: -53.279604 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -9.513 flat angles C4'-P-C4' energy: -14.988 flat angles P-C4'-P energy: -10.021 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: 7, replica: 7 ===================================== Write number: 14 Temperature: 1.200000 Total energy: -94.694035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.694035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.694035 (E_RNA) where: Base-Base interactions energy: -38.580 where: short stacking energy: -30.633 Base-Backbone interact. energy: -0.084 local terms energy: -56.030035 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -11.115 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: -6.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 14 Temperature: 1.250000 Total energy: -77.532544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.532544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.532544 (E_RNA) where: Base-Base interactions energy: -27.575 where: short stacking energy: -27.575 Base-Backbone interact. energy: -0.025 local terms energy: -49.932450 where: bonds (distance) C4'-P energy: -10.644 bonds (distance) P-C4' energy: -14.267 flat angles C4'-P-C4' energy: -11.175 flat angles P-C4'-P energy: -6.604 tors. eta vs tors. theta energy: -7.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 14 Temperature: 1.300000 Total energy: -76.603633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.603633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.603633 (E_RNA) where: Base-Base interactions energy: -39.289 where: short stacking energy: -28.015 Base-Backbone interact. energy: -0.017 local terms energy: -37.297513 where: bonds (distance) C4'-P energy: -9.819 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -7.542 flat angles P-C4'-P energy: -4.360 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: 10, replica: 10 ===================================== Write number: 14 Temperature: 1.350000 Total energy: -84.547139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.547139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.547139 (E_RNA) where: Base-Base interactions energy: -34.242 where: short stacking energy: -27.281 Base-Backbone interact. energy: -0.228 local terms energy: -50.076477 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -10.618 tors. eta vs tors. theta energy: -5.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 15 Temperature: 0.900000 Total energy: -199.132978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.132978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.132978 (E_RNA) where: Base-Base interactions energy: -130.753 where: short stacking energy: -65.172 Base-Backbone interact. energy: -0.590 local terms energy: -67.789582 where: bonds (distance) C4'-P energy: -10.151 bonds (distance) P-C4' energy: -16.138 flat angles C4'-P-C4' energy: -14.382 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: -20.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 15 Temperature: 0.950000 Total energy: -167.299509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.299509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.299509 (E_RNA) where: Base-Base interactions energy: -98.477 where: short stacking energy: -57.325 Base-Backbone interact. energy: -0.003 local terms energy: -68.818644 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -9.608 tors. eta vs tors. theta energy: -15.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 15 Temperature: 1.000000 Total energy: -150.731009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.731009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.731009 (E_RNA) where: Base-Base interactions energy: -84.091 where: short stacking energy: -53.482 Base-Backbone interact. energy: -0.027 local terms energy: -66.612859 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -14.611 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: 4, replica: 8 ===================================== Write number: 15 Temperature: 1.050000 Total energy: -103.125999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.125999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.125999 (E_RNA) where: Base-Base interactions energy: -46.481 where: short stacking energy: -46.481 Base-Backbone interact. energy: -0.045 local terms energy: -56.600000 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -15.445 flat angles C4'-P-C4' energy: -12.981 flat angles P-C4'-P energy: -6.175 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: 5, replica: 6 ===================================== Write number: 15 Temperature: 1.100000 Total energy: -114.859688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.859688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.859688 (E_RNA) where: Base-Base interactions energy: -69.178 where: short stacking energy: -38.859 Base-Backbone interact. energy: -0.111 local terms energy: -45.570610 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -11.617 flat angles C4'-P-C4' energy: -12.460 flat angles P-C4'-P energy: -5.623 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: 6, replica: 9 ===================================== Write number: 15 Temperature: 1.150000 Total energy: -88.824724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.824724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.824724 (E_RNA) where: Base-Base interactions energy: -30.188 where: short stacking energy: -30.188 Base-Backbone interact. energy: -0.529 local terms energy: -58.107818 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -14.175 flat angles C4'-P-C4' energy: -12.149 flat angles P-C4'-P energy: -8.188 tors. eta vs tors. theta energy: -8.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 15 Temperature: 1.200000 Total energy: -108.702337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.702337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.702337 (E_RNA) where: Base-Base interactions energy: -67.282 where: short stacking energy: -31.400 Base-Backbone interact. energy: -0.168 local terms energy: -41.251930 where: bonds (distance) C4'-P energy: -5.785 bonds (distance) P-C4' energy: -11.889 flat angles C4'-P-C4' energy: -8.048 flat angles P-C4'-P energy: -6.473 tors. eta vs tors. theta energy: -9.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 15 Temperature: 1.250000 Total energy: -76.060635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.060635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.060635 (E_RNA) where: Base-Base interactions energy: -38.027 where: short stacking energy: -25.234 Base-Backbone interact. energy: -0.118 local terms energy: -37.915339 where: bonds (distance) C4'-P energy: -11.394 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -3.576 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -0.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 15 Temperature: 1.300000 Total energy: -86.548495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.548495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.548495 (E_RNA) where: Base-Base interactions energy: -36.057 where: short stacking energy: -34.864 Base-Backbone interact. energy: -0.787 local terms energy: -49.703796 where: bonds (distance) C4'-P energy: -12.479 bonds (distance) P-C4' energy: -9.858 flat angles C4'-P-C4' energy: -11.328 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -10.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 15 Temperature: 1.350000 Total energy: -77.726508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.726508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.726508 (E_RNA) where: Base-Base interactions energy: -28.517 where: short stacking energy: -26.590 Base-Backbone interact. energy: 1.041 local terms energy: -50.250440 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -12.236 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: -4.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 16 Temperature: 0.900000 Total energy: -200.040243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.040243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.040243 (E_RNA) where: Base-Base interactions energy: -131.464 where: short stacking energy: -64.039 Base-Backbone interact. energy: -0.064 local terms energy: -68.512178 where: bonds (distance) C4'-P energy: -9.606 bonds (distance) P-C4' energy: -14.708 flat angles C4'-P-C4' energy: -15.587 flat angles P-C4'-P energy: -8.648 tors. eta vs tors. theta energy: -19.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 16 Temperature: 0.950000 Total energy: -174.401262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.401262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.401262 (E_RNA) where: Base-Base interactions energy: -109.385 where: short stacking energy: -60.206 Base-Backbone interact. energy: -0.004 local terms energy: -65.012357 where: bonds (distance) C4'-P energy: -15.017 bonds (distance) P-C4' energy: -14.886 flat angles C4'-P-C4' energy: -15.662 flat angles P-C4'-P energy: -4.458 tors. eta vs tors. theta energy: -14.991 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: 2 ===================================== Write number: 16 Temperature: 1.000000 Total energy: -147.691530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.691530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.691530 (E_RNA) where: Base-Base interactions energy: -85.834 where: short stacking energy: -53.246 Base-Backbone interact. energy: -0.063 local terms energy: -61.794858 where: bonds (distance) C4'-P energy: -13.182 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -13.558 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -11.468 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: 8 ===================================== Write number: 16 Temperature: 1.050000 Total energy: -107.962262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.962262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.962262 (E_RNA) where: Base-Base interactions energy: -52.488 where: short stacking energy: -33.396 Base-Backbone interact. energy: -0.098 local terms energy: -55.376260 where: bonds (distance) C4'-P energy: -14.241 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -13.440 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -4.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 16 Temperature: 1.100000 Total energy: -163.137367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.137367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.137367 (E_RNA) where: Base-Base interactions energy: -104.615 where: short stacking energy: -46.053 Base-Backbone interact. energy: -1.942 local terms energy: -56.580388 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -9.157 flat angles C4'-P-C4' energy: -12.599 flat angles P-C4'-P energy: -11.757 tors. eta vs tors. theta energy: -10.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 16 Temperature: 1.150000 Total energy: -86.349939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.349939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.349939 (E_RNA) where: Base-Base interactions energy: -33.246 where: short stacking energy: -28.032 Base-Backbone interact. energy: 0.137 local terms energy: -53.240916 where: bonds (distance) C4'-P energy: -13.793 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -14.400 flat angles P-C4'-P energy: -9.137 tors. eta vs tors. theta energy: -1.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 16 Temperature: 1.200000 Total energy: -88.100994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.100994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.100994 (E_RNA) where: Base-Base interactions energy: -46.514 where: short stacking energy: -33.419 Base-Backbone interact. energy: -0.794 local terms energy: -40.792353 where: bonds (distance) C4'-P energy: -6.309 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -9.678 flat angles P-C4'-P energy: -6.551 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 16 Temperature: 1.250000 Total energy: -84.666380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.666380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.666380 (E_RNA) where: Base-Base interactions energy: -33.851 where: short stacking energy: -33.851 Base-Backbone interact. energy: 2.977 local terms energy: -53.791922 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -12.396 flat angles C4'-P-C4' energy: -14.716 flat angles P-C4'-P energy: -6.587 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: 9, replica: 10 ===================================== Write number: 16 Temperature: 1.300000 Total energy: -85.857285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.857285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.857285 (E_RNA) where: Base-Base interactions energy: -39.185 where: short stacking energy: -30.437 Base-Backbone interact. energy: 1.377 local terms energy: -48.048335 where: bonds (distance) C4'-P energy: -8.835 bonds (distance) P-C4' energy: -11.203 flat angles C4'-P-C4' energy: -11.537 flat angles P-C4'-P energy: -9.739 tors. eta vs tors. theta energy: -6.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 16 Temperature: 1.350000 Total energy: -71.031819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.031819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.031819 (E_RNA) where: Base-Base interactions energy: -30.086 where: short stacking energy: -21.673 Base-Backbone interact. energy: -0.148 local terms energy: -40.797790 where: bonds (distance) C4'-P energy: -8.891 bonds (distance) P-C4' energy: -15.840 flat angles C4'-P-C4' energy: -6.756 flat angles P-C4'-P energy: -8.920 tors. eta vs tors. theta energy: -0.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 17 Temperature: 0.900000 Total energy: -191.376848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.376848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.376848 (E_RNA) where: Base-Base interactions energy: -116.807 where: short stacking energy: -69.343 Base-Backbone interact. energy: -0.125 local terms energy: -74.445244 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -16.551 flat angles P-C4'-P energy: -11.083 tors. eta vs tors. theta energy: -18.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 17 Temperature: 0.950000 Total energy: -166.614180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.614180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.614180 (E_RNA) where: Base-Base interactions energy: -101.813 where: short stacking energy: -54.093 Base-Backbone interact. energy: -0.008 local terms energy: -64.793339 where: bonds (distance) C4'-P energy: -13.749 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -16.363 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -12.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 17 Temperature: 1.000000 Total energy: -145.777676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.777676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.777676 (E_RNA) where: Base-Base interactions energy: -88.304 where: short stacking energy: -39.321 Base-Backbone interact. energy: -0.929 local terms energy: -56.544473 where: bonds (distance) C4'-P energy: -15.286 bonds (distance) P-C4' energy: -13.527 flat angles C4'-P-C4' energy: -16.219 flat angles P-C4'-P energy: -5.072 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: 4, replica: 6 ===================================== Write number: 17 Temperature: 1.050000 Total energy: -189.170952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.170952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.170952 (E_RNA) where: Base-Base interactions energy: -124.962 where: short stacking energy: -59.284 Base-Backbone interact. energy: -0.022 local terms energy: -64.186746 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -12.306 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -7.986 tors. eta vs tors. theta energy: -18.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 17 Temperature: 1.100000 Total energy: -95.310692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.310692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.310692 (E_RNA) where: Base-Base interactions energy: -43.739 where: short stacking energy: -36.756 Base-Backbone interact. energy: 0.380 local terms energy: -51.951336 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -13.215 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -7.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 17 Temperature: 1.150000 Total energy: -101.976845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.976845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.976845 (E_RNA) where: Base-Base interactions energy: -40.766 where: short stacking energy: -40.512 Base-Backbone interact. energy: -0.004 local terms energy: -61.206104 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -15.656 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -9.523 tors. eta vs tors. theta energy: -9.519 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: 17 Temperature: 1.200000 Total energy: -87.639031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.639031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.639031 (E_RNA) where: Base-Base interactions energy: -41.830 where: short stacking energy: -37.696 Base-Backbone interact. energy: -0.141 local terms energy: -45.667933 where: bonds (distance) C4'-P energy: -4.733 bonds (distance) P-C4' energy: -13.621 flat angles C4'-P-C4' energy: -14.047 flat angles P-C4'-P energy: -10.231 tors. eta vs tors. theta energy: -3.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 17 Temperature: 1.250000 Total energy: -90.404104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.404104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.404104 (E_RNA) where: Base-Base interactions energy: -42.526 where: short stacking energy: -24.835 Base-Backbone interact. energy: -0.122 local terms energy: -47.756108 where: bonds (distance) C4'-P energy: -10.404 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -13.338 flat angles P-C4'-P energy: -3.442 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: 9, replica: 10 ===================================== Write number: 17 Temperature: 1.300000 Total energy: -72.643784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.643784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.643784 (E_RNA) where: Base-Base interactions energy: -32.325 where: short stacking energy: -32.325 Base-Backbone interact. energy: -0.024 local terms energy: -40.294909 where: bonds (distance) C4'-P energy: -10.645 bonds (distance) P-C4' energy: -11.646 flat angles C4'-P-C4' energy: -12.513 flat angles P-C4'-P energy: -6.303 tors. eta vs tors. theta energy: 0.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 17 Temperature: 1.350000 Total energy: -76.238594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.238594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.238594 (E_RNA) where: Base-Base interactions energy: -27.310 where: short stacking energy: -25.572 Base-Backbone interact. energy: -0.108 local terms energy: -48.820681 where: bonds (distance) C4'-P energy: -14.073 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -1.794 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: 1, replica: 1 ===================================== Write number: 18 Temperature: 0.900000 Total energy: -193.652853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.652853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.652853 (E_RNA) where: Base-Base interactions energy: -120.226 where: short stacking energy: -62.805 Base-Backbone interact. energy: 0.041 local terms energy: -73.467540 where: bonds (distance) C4'-P energy: -15.359 bonds (distance) P-C4' energy: -14.371 flat angles C4'-P-C4' energy: -14.560 flat angles P-C4'-P energy: -9.644 tors. eta vs tors. theta energy: -19.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 18 Temperature: 0.950000 Total energy: -157.455220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.455220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.455220 (E_RNA) where: Base-Base interactions energy: -103.662 where: short stacking energy: -55.133 Base-Backbone interact. energy: -0.198 local terms energy: -53.595587 where: bonds (distance) C4'-P energy: -10.325 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -9.968 flat angles P-C4'-P energy: -4.036 tors. eta vs tors. theta energy: -14.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 18 Temperature: 1.000000 Total energy: -197.793686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.793686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.793686 (E_RNA) where: Base-Base interactions energy: -128.541 where: short stacking energy: -61.187 Base-Backbone interact. energy: -0.018 local terms energy: -69.234506 where: bonds (distance) C4'-P energy: -6.060 bonds (distance) P-C4' energy: -16.073 flat angles C4'-P-C4' energy: -15.105 flat angles P-C4'-P energy: -12.325 tors. eta vs tors. theta energy: -19.672 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: 2 ===================================== Write number: 18 Temperature: 1.050000 Total energy: -151.122856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -151.122856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -151.122856 (E_RNA) where: Base-Base interactions energy: -91.771 where: short stacking energy: -49.422 Base-Backbone interact. energy: 0.893 local terms energy: -60.245534 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -13.053 flat angles C4'-P-C4' energy: -12.714 flat angles P-C4'-P energy: -8.980 tors. eta vs tors. theta energy: -12.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 18 Temperature: 1.100000 Total energy: -94.029710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.029710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.029710 (E_RNA) where: Base-Base interactions energy: -51.429 where: short stacking energy: -33.993 Base-Backbone interact. energy: -0.204 local terms energy: -42.397198 where: bonds (distance) C4'-P energy: -6.404 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -13.163 flat angles P-C4'-P energy: -7.611 tors. eta vs tors. theta energy: -1.614 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: 6, replica: 4 ===================================== Write number: 18 Temperature: 1.150000 Total energy: -96.164228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.164228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.164228 (E_RNA) where: Base-Base interactions energy: -52.984 where: short stacking energy: -44.737 Base-Backbone interact. energy: 2.155 local terms energy: -45.335996 where: bonds (distance) C4'-P energy: -8.179 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -10.194 flat angles P-C4'-P energy: -1.695 tors. eta vs tors. theta energy: -9.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 18 Temperature: 1.200000 Total energy: -84.539197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.539197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.539197 (E_RNA) where: Base-Base interactions energy: -35.134 where: short stacking energy: -27.386 Base-Backbone interact. energy: -0.025 local terms energy: -49.379865 where: bonds (distance) C4'-P energy: -12.263 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -9.920 flat angles P-C4'-P energy: -10.639 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: 8, replica: 9 ===================================== Write number: 18 Temperature: 1.250000 Total energy: -81.506510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.506510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.506510 (E_RNA) where: Base-Base interactions energy: -34.135 where: short stacking energy: -34.135 Base-Backbone interact. energy: -0.001 local terms energy: -47.370529 where: bonds (distance) C4'-P energy: -7.510 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -7.277 tors. eta vs tors. theta energy: -8.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 18 Temperature: 1.300000 Total energy: -85.293634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.293634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.293634 (E_RNA) where: Base-Base interactions energy: -27.458 where: short stacking energy: -26.074 Base-Backbone interact. energy: -0.929 local terms energy: -56.907342 where: bonds (distance) C4'-P energy: -12.082 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -7.172 tors. eta vs tors. theta energy: -9.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 18 Temperature: 1.350000 Total energy: -66.485202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.485202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.485202 (E_RNA) where: Base-Base interactions energy: -22.804 where: short stacking energy: -22.804 Base-Backbone interact. energy: -0.221 local terms energy: -43.460187 where: bonds (distance) C4'-P energy: -9.059 bonds (distance) P-C4' energy: -16.125 flat angles C4'-P-C4' energy: -8.575 flat angles P-C4'-P energy: -7.777 tors. eta vs tors. theta energy: -1.925 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: 19 Temperature: 0.900000 Total energy: -199.225723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.225723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.225723 (E_RNA) where: Base-Base interactions energy: -128.947 where: short stacking energy: -56.490 Base-Backbone interact. energy: -0.090 local terms energy: -70.188585 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -15.806 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -15.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 19 Temperature: 0.950000 Total energy: -188.595073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.595073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.595073 (E_RNA) where: Base-Base interactions energy: -131.761 where: short stacking energy: -57.989 Base-Backbone interact. energy: -0.002 local terms energy: -56.831933 where: bonds (distance) C4'-P energy: -13.977 bonds (distance) P-C4' energy: -11.157 flat angles C4'-P-C4' energy: -7.915 flat angles P-C4'-P energy: -7.006 tors. eta vs tors. theta energy: -16.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 19 Temperature: 1.000000 Total energy: -157.794314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.794314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.794314 (E_RNA) where: Base-Base interactions energy: -99.890 where: short stacking energy: -56.046 Base-Backbone interact. energy: -0.124 local terms energy: -57.780921 where: bonds (distance) C4'-P energy: -5.404 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -15.765 flat angles P-C4'-P energy: -5.870 tors. eta vs tors. theta energy: -16.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 19 Temperature: 1.050000 Total energy: -144.620452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.620452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.620452 (E_RNA) where: Base-Base interactions energy: -83.049 where: short stacking energy: -49.518 Base-Backbone interact. energy: -0.002 local terms energy: -61.569581 where: bonds (distance) C4'-P energy: -12.027 bonds (distance) P-C4' energy: -13.092 flat angles C4'-P-C4' energy: -12.371 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -13.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 19 Temperature: 1.100000 Total energy: -106.897601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.897601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.897601 (E_RNA) where: Base-Base interactions energy: -50.633 where: short stacking energy: -37.611 Base-Backbone interact. energy: 0.525 local terms energy: -56.789885 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -12.769 flat angles P-C4'-P energy: -6.288 tors. eta vs tors. theta energy: -9.535 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: 19 Temperature: 1.150000 Total energy: -91.895871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.895871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.895871 (E_RNA) where: Base-Base interactions energy: -40.192 where: short stacking energy: -40.192 Base-Backbone interact. energy: -0.008 local terms energy: -51.696219 where: bonds (distance) C4'-P energy: -12.082 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -12.379 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -8.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 19 Temperature: 1.200000 Total energy: -90.309689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.309689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.309689 (E_RNA) where: Base-Base interactions energy: -43.341 where: short stacking energy: -29.365 Base-Backbone interact. energy: -0.020 local terms energy: -46.948627 where: bonds (distance) C4'-P energy: -9.356 bonds (distance) P-C4' energy: -10.111 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -6.496 tors. eta vs tors. theta energy: -7.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 19 Temperature: 1.250000 Total energy: -80.615109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.615109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.615109 (E_RNA) where: Base-Base interactions energy: -30.433 where: short stacking energy: -30.433 Base-Backbone interact. energy: -0.002 local terms energy: -50.179767 where: bonds (distance) C4'-P energy: -15.621 bonds (distance) P-C4' energy: -13.192 flat angles C4'-P-C4' energy: -8.853 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -5.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 19 Temperature: 1.300000 Total energy: -73.648575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.648575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.648575 (E_RNA) where: Base-Base interactions energy: -25.807 where: short stacking energy: -22.111 Base-Backbone interact. energy: -0.113 local terms energy: -47.728672 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -11.546 flat angles C4'-P-C4' energy: -13.272 flat angles P-C4'-P energy: -12.470 tors. eta vs tors. theta energy: -0.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 19 Temperature: 1.350000 Total energy: -75.237680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.237680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.237680 (E_RNA) where: Base-Base interactions energy: -29.588 where: short stacking energy: -16.147 Base-Backbone interact. energy: -0.228 local terms energy: -45.421331 where: bonds (distance) C4'-P energy: -11.885 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -8.403 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: 6 ===================================== Write number: 20 Temperature: 0.900000 Total energy: -179.939712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.939712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.939712 (E_RNA) where: Base-Base interactions energy: -110.638 where: short stacking energy: -56.882 Base-Backbone interact. energy: -0.112 local terms energy: -69.190365 where: bonds (distance) C4'-P energy: -15.244 bonds (distance) P-C4' energy: -15.147 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -9.424 tors. eta vs tors. theta energy: -14.984 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: 1 ===================================== Write number: 20 Temperature: 0.950000 Total energy: -194.173947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.173947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.173947 (E_RNA) where: Base-Base interactions energy: -135.991 where: short stacking energy: -61.586 Base-Backbone interact. energy: -0.114 local terms energy: -58.068705 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -12.383 flat angles P-C4'-P energy: -4.405 tors. eta vs tors. theta energy: -15.123 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: 3, replica: 3 ===================================== Write number: 20 Temperature: 1.000000 Total energy: -172.438837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.438837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.438837 (E_RNA) where: Base-Base interactions energy: -98.414 where: short stacking energy: -52.678 Base-Backbone interact. energy: -0.036 local terms energy: -73.988750 where: bonds (distance) C4'-P energy: -15.070 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -14.553 flat angles P-C4'-P energy: -11.125 tors. eta vs tors. theta energy: -17.511 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: 2 ===================================== Write number: 20 Temperature: 1.050000 Total energy: -134.374089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.374089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.374089 (E_RNA) where: Base-Base interactions energy: -80.499 where: short stacking energy: -44.214 Base-Backbone interact. energy: -0.048 local terms energy: -53.826257 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -11.963 flat angles C4'-P-C4' energy: -12.083 flat angles P-C4'-P energy: -3.764 tors. eta vs tors. theta energy: -12.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 20 Temperature: 1.100000 Total energy: -102.173101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.173101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.173101 (E_RNA) where: Base-Base interactions energy: -41.378 where: short stacking energy: -41.378 Base-Backbone interact. energy: -0.001 local terms energy: -60.794530 where: bonds (distance) C4'-P energy: -11.221 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -11.851 flat angles P-C4'-P energy: -7.715 tors. eta vs tors. theta energy: -15.104 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 20 Temperature: 1.150000 Total energy: -107.726304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.726304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.726304 (E_RNA) where: Base-Base interactions energy: -48.107 where: short stacking energy: -48.107 Base-Backbone interact. energy: -0.011 local terms energy: -59.608706 where: bonds (distance) C4'-P energy: -11.903 bonds (distance) P-C4' energy: -12.220 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -10.051 tors. eta vs tors. theta energy: -13.194 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: 7, replica: 5 ===================================== Write number: 20 Temperature: 1.200000 Total energy: -92.717732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.717732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.717732 (E_RNA) where: Base-Base interactions energy: -36.555 where: short stacking energy: -36.555 Base-Backbone interact. energy: -0.032 local terms energy: -56.130261 where: bonds (distance) C4'-P energy: -13.625 bonds (distance) P-C4' energy: -9.463 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -9.130 tors. eta vs tors. theta energy: -10.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 20 Temperature: 1.250000 Total energy: -82.615550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.615550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.615550 (E_RNA) where: Base-Base interactions energy: -38.926 where: short stacking energy: -38.926 Base-Backbone interact. energy: -0.074 local terms energy: -43.615307 where: bonds (distance) C4'-P energy: -11.648 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -13.581 flat angles P-C4'-P energy: 0.986 tors. eta vs tors. theta energy: -4.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 20 Temperature: 1.300000 Total energy: -75.745787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.745787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.745787 (E_RNA) where: Base-Base interactions energy: -26.642 where: short stacking energy: -26.642 Base-Backbone interact. energy: -0.134 local terms energy: -48.969727 where: bonds (distance) C4'-P energy: -9.249 bonds (distance) P-C4' energy: -15.583 flat angles C4'-P-C4' energy: -11.587 flat angles P-C4'-P energy: -8.016 tors. eta vs tors. theta energy: -4.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 20 Temperature: 1.350000 Total energy: -71.902365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.902365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.902365 (E_RNA) where: Base-Base interactions energy: -29.754 where: short stacking energy: -22.351 Base-Backbone interact. energy: -0.116 local terms energy: -42.032754 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -9.180 flat angles C4'-P-C4' energy: -8.233 flat angles P-C4'-P energy: -5.453 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: 1, replica: 6 ===================================== Write number: 21 Temperature: 0.900000 Total energy: -195.278212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.278212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.278212 (E_RNA) where: Base-Base interactions energy: -126.577 where: short stacking energy: -56.960 Base-Backbone interact. energy: 0.417 local terms energy: -69.118635 where: bonds (distance) C4'-P energy: -14.209 bonds (distance) P-C4' energy: -13.752 flat angles C4'-P-C4' energy: -13.435 flat angles P-C4'-P energy: -11.443 tors. eta vs tors. theta energy: -16.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 21 Temperature: 0.950000 Total energy: -161.631281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.631281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.631281 (E_RNA) where: Base-Base interactions energy: -95.150 where: short stacking energy: -61.374 Base-Backbone interact. energy: -0.053 local terms energy: -66.428313 where: bonds (distance) C4'-P energy: -11.823 bonds (distance) P-C4' energy: -11.433 flat angles C4'-P-C4' energy: -15.181 flat angles P-C4'-P energy: -11.004 tors. eta vs tors. theta energy: -16.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 21 Temperature: 1.000000 Total energy: -188.226929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.226929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.226929 (E_RNA) where: Base-Base interactions energy: -123.227 where: short stacking energy: -64.444 Base-Backbone interact. energy: -0.010 local terms energy: -64.989789 where: bonds (distance) C4'-P energy: -11.675 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -16.184 flat angles P-C4'-P energy: -7.749 tors. eta vs tors. theta energy: -15.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 21 Temperature: 1.050000 Total energy: -141.313952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.313952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.313952 (E_RNA) where: Base-Base interactions energy: -80.294 where: short stacking energy: -49.016 Base-Backbone interact. energy: -0.095 local terms energy: -60.924804 where: bonds (distance) C4'-P energy: -11.540 bonds (distance) P-C4' energy: -12.569 flat angles C4'-P-C4' energy: -14.474 flat angles P-C4'-P energy: -7.834 tors. eta vs tors. theta energy: -14.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 21 Temperature: 1.100000 Total energy: -92.181282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.181282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.181282 (E_RNA) where: Base-Base interactions energy: -39.994 where: short stacking energy: -31.758 Base-Backbone interact. energy: -0.265 local terms energy: -51.922458 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -12.218 flat angles P-C4'-P energy: -11.081 tors. eta vs tors. theta energy: -1.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 21 Temperature: 1.150000 Total energy: -96.119073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.119073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.119073 (E_RNA) where: Base-Base interactions energy: -50.017 where: short stacking energy: -29.904 Base-Backbone interact. energy: -0.687 local terms energy: -45.415114 where: bonds (distance) C4'-P energy: -11.527 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -11.439 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: -0.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 21 Temperature: 1.200000 Total energy: -86.784428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.784428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.784428 (E_RNA) where: Base-Base interactions energy: -38.678 where: short stacking energy: -38.678 Base-Backbone interact. energy: -0.085 local terms energy: -48.022005 where: bonds (distance) C4'-P energy: -6.969 bonds (distance) P-C4' energy: -13.198 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -9.023 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: 8, replica: 9 ===================================== Write number: 21 Temperature: 1.250000 Total energy: -88.633499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.633499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.633499 (E_RNA) where: Base-Base interactions energy: -33.058 where: short stacking energy: -33.058 Base-Backbone interact. energy: -0.125 local terms energy: -55.451063 where: bonds (distance) C4'-P energy: -12.127 bonds (distance) P-C4' energy: -12.288 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: -9.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 21 Temperature: 1.300000 Total energy: -80.611962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.611962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.611962 (E_RNA) where: Base-Base interactions energy: -36.804 where: short stacking energy: -33.348 Base-Backbone interact. energy: -0.198 local terms energy: -43.610026 where: bonds (distance) C4'-P energy: -13.070 bonds (distance) P-C4' energy: -10.376 flat angles C4'-P-C4' energy: -10.550 flat angles P-C4'-P energy: -5.942 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: 10 ===================================== Write number: 21 Temperature: 1.350000 Total energy: -76.765080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.765080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.765080 (E_RNA) where: Base-Base interactions energy: -24.322 where: short stacking energy: -24.322 Base-Backbone interact. energy: -0.142 local terms energy: -52.300902 where: bonds (distance) C4'-P energy: -15.297 bonds (distance) P-C4' energy: -11.894 flat angles C4'-P-C4' energy: -12.609 flat angles P-C4'-P energy: -6.321 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: 1, replica: 6 ===================================== Write number: 22 Temperature: 0.900000 Total energy: -195.833544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.833544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.833544 (E_RNA) where: Base-Base interactions energy: -127.889 where: short stacking energy: -51.519 Base-Backbone interact. energy: -0.139 local terms energy: -67.805403 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -16.285 flat angles P-C4'-P energy: -8.642 tors. eta vs tors. theta energy: -15.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 22 Temperature: 0.950000 Total energy: -171.008513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.008513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.008513 (E_RNA) where: Base-Base interactions energy: -106.676 where: short stacking energy: -46.842 Base-Backbone interact. energy: 0.928 local terms energy: -65.260803 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -13.735 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -12.097 tors. eta vs tors. theta energy: -11.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 22 Temperature: 1.000000 Total energy: -174.071945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.071945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.071945 (E_RNA) where: Base-Base interactions energy: -115.974 where: short stacking energy: -53.356 Base-Backbone interact. energy: -0.008 local terms energy: -58.090577 where: bonds (distance) C4'-P energy: -9.940 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -9.049 flat angles P-C4'-P energy: -7.128 tors. eta vs tors. theta energy: -17.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 22 Temperature: 1.050000 Total energy: -116.131389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.131389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.131389 (E_RNA) where: Base-Base interactions energy: -58.090 where: short stacking energy: -38.436 Base-Backbone interact. energy: 0.932 local terms energy: -58.972723 where: bonds (distance) C4'-P energy: -13.322 bonds (distance) P-C4' energy: -12.089 flat angles C4'-P-C4' energy: -14.617 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -9.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 22 Temperature: 1.100000 Total energy: -98.596280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.596280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.596280 (E_RNA) where: Base-Base interactions energy: -42.374 where: short stacking energy: -37.363 Base-Backbone interact. energy: -0.059 local terms energy: -56.163168 where: bonds (distance) C4'-P energy: -11.138 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -11.326 flat angles P-C4'-P energy: -7.774 tors. eta vs tors. theta energy: -11.707 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: 7 ===================================== Write number: 22 Temperature: 1.150000 Total energy: -98.065070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.065070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.065070 (E_RNA) where: Base-Base interactions energy: -40.209 where: short stacking energy: -40.209 Base-Backbone interact. energy: -0.015 local terms energy: -57.840742 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -9.115 tors. eta vs tors. theta energy: -4.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 22 Temperature: 1.200000 Total energy: -87.255977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.255977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.255977 (E_RNA) where: Base-Base interactions energy: -34.467 where: short stacking energy: -34.467 Base-Backbone interact. energy: -0.175 local terms energy: -52.613435 where: bonds (distance) C4'-P energy: -14.859 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -6.365 flat angles P-C4'-P energy: -8.397 tors. eta vs tors. theta energy: -8.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 22 Temperature: 1.250000 Total energy: -84.281550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.281550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.281550 (E_RNA) where: Base-Base interactions energy: -46.757 where: short stacking energy: -26.764 Base-Backbone interact. energy: -0.033 local terms energy: -37.491367 where: bonds (distance) C4'-P energy: -6.295 bonds (distance) P-C4' energy: -11.290 flat angles C4'-P-C4' energy: -12.345 flat angles P-C4'-P energy: -8.636 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: 9, replica: 10 ===================================== Write number: 22 Temperature: 1.300000 Total energy: -88.792142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.792142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.792142 (E_RNA) where: Base-Base interactions energy: -40.336 where: short stacking energy: -37.644 Base-Backbone interact. energy: -0.027 local terms energy: -48.428995 where: bonds (distance) C4'-P energy: -12.175 bonds (distance) P-C4' energy: -13.704 flat angles C4'-P-C4' energy: -10.703 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -5.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 22 Temperature: 1.350000 Total energy: -69.209087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.209087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.209087 (E_RNA) where: Base-Base interactions energy: -29.418 where: short stacking energy: -27.228 Base-Backbone interact. energy: -0.243 local terms energy: -39.547971 where: bonds (distance) C4'-P energy: -8.876 bonds (distance) P-C4' energy: -16.228 flat angles C4'-P-C4' energy: -8.598 flat angles P-C4'-P energy: -7.320 tors. eta vs tors. theta energy: 1.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 23 Temperature: 0.900000 Total energy: -187.521718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.521718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.521718 (E_RNA) where: Base-Base interactions energy: -126.020 where: short stacking energy: -54.231 Base-Backbone interact. energy: 0.497 local terms energy: -61.998391 where: bonds (distance) C4'-P energy: -12.263 bonds (distance) P-C4' energy: -15.338 flat angles C4'-P-C4' energy: -15.705 flat angles P-C4'-P energy: -4.720 tors. eta vs tors. theta energy: -13.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 23 Temperature: 0.950000 Total energy: -165.067343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.067343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.067343 (E_RNA) where: Base-Base interactions energy: -104.514 where: short stacking energy: -53.465 Base-Backbone interact. energy: 0.190 local terms energy: -60.743457 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -8.815 flat angles P-C4'-P energy: -12.901 tors. eta vs tors. theta energy: -11.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 23 Temperature: 1.000000 Total energy: -179.887064 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.887064 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.887064 (E_RNA) where: Base-Base interactions energy: -114.699 where: short stacking energy: -52.862 Base-Backbone interact. energy: -0.112 local terms energy: -65.075855 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -14.290 flat angles C4'-P-C4' energy: -12.632 flat angles P-C4'-P energy: -8.378 tors. eta vs tors. theta energy: -14.888 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: 2 ===================================== Write number: 23 Temperature: 1.050000 Total energy: -114.355625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.355625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.355625 (E_RNA) where: Base-Base interactions energy: -54.660 where: short stacking energy: -42.714 Base-Backbone interact. energy: -0.188 local terms energy: -59.507671 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -10.375 tors. eta vs tors. theta energy: -10.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 23 Temperature: 1.100000 Total energy: -102.668535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.668535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.668535 (E_RNA) where: Base-Base interactions energy: -47.017 where: short stacking energy: -39.642 Base-Backbone interact. energy: -0.119 local terms energy: -55.531848 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -9.468 flat angles P-C4'-P energy: -10.504 tors. eta vs tors. theta energy: -8.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 23 Temperature: 1.150000 Total energy: -98.535373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.535373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.535373 (E_RNA) where: Base-Base interactions energy: -49.758 where: short stacking energy: -49.758 Base-Backbone interact. energy: -0.004 local terms energy: -48.773351 where: bonds (distance) C4'-P energy: -11.932 bonds (distance) P-C4' energy: -8.058 flat angles C4'-P-C4' energy: -12.153 flat angles P-C4'-P energy: -8.975 tors. eta vs tors. theta energy: -7.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 23 Temperature: 1.200000 Total energy: -99.829590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.829590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.829590 (E_RNA) where: Base-Base interactions energy: -56.021 where: short stacking energy: -35.951 Base-Backbone interact. energy: -0.367 local terms energy: -43.441393 where: bonds (distance) C4'-P energy: -10.843 bonds (distance) P-C4' energy: -11.626 flat angles C4'-P-C4' energy: -10.674 flat angles P-C4'-P energy: -4.948 tors. eta vs tors. theta energy: -5.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 23 Temperature: 1.250000 Total energy: -86.428245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.428245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.428245 (E_RNA) where: Base-Base interactions energy: -41.754 where: short stacking energy: -37.998 Base-Backbone interact. energy: -0.005 local terms energy: -44.668874 where: bonds (distance) C4'-P energy: -10.522 bonds (distance) P-C4' energy: -11.344 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -4.841 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: 9, replica: 8 ===================================== Write number: 23 Temperature: 1.300000 Total energy: -85.844227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.844227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.844227 (E_RNA) where: Base-Base interactions energy: -37.467 where: short stacking energy: -31.665 Base-Backbone interact. energy: -0.264 local terms energy: -48.113490 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -14.346 flat angles C4'-P-C4' energy: -5.629 flat angles P-C4'-P energy: -8.724 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: 10, replica: 4 ===================================== Write number: 23 Temperature: 1.350000 Total energy: -77.655565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.655565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.655565 (E_RNA) where: Base-Base interactions energy: -31.178 where: short stacking energy: -31.178 Base-Backbone interact. energy: -0.003 local terms energy: -46.475117 where: bonds (distance) C4'-P energy: -8.327 bonds (distance) P-C4' energy: -13.195 flat angles C4'-P-C4' energy: -10.205 flat angles P-C4'-P energy: -7.907 tors. eta vs tors. theta energy: -6.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 24 Temperature: 0.900000 Total energy: -191.725116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.725116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.725116 (E_RNA) where: Base-Base interactions energy: -126.832 where: short stacking energy: -59.466 Base-Backbone interact. energy: -0.100 local terms energy: -64.792613 where: bonds (distance) C4'-P energy: -13.782 bonds (distance) P-C4' energy: -16.449 flat angles C4'-P-C4' energy: -13.931 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -16.579 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: 3 ===================================== Write number: 24 Temperature: 0.950000 Total energy: -185.373881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.373881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.373881 (E_RNA) where: Base-Base interactions energy: -122.546 where: short stacking energy: -58.571 Base-Backbone interact. energy: -0.252 local terms energy: -62.576540 where: bonds (distance) C4'-P energy: -13.046 bonds (distance) P-C4' energy: -14.137 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -14.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 24 Temperature: 1.000000 Total energy: -181.037836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.037836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.037836 (E_RNA) where: Base-Base interactions energy: -124.429 where: short stacking energy: -52.366 Base-Backbone interact. energy: -0.212 local terms energy: -56.396874 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -11.024 flat angles C4'-P-C4' energy: -15.950 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -11.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 24 Temperature: 1.050000 Total energy: -118.774564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.774564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.774564 (E_RNA) where: Base-Base interactions energy: -55.091 where: short stacking energy: -38.339 Base-Backbone interact. energy: -0.436 local terms energy: -63.248033 where: bonds (distance) C4'-P energy: -15.773 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -8.529 tors. eta vs tors. theta energy: -11.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 24 Temperature: 1.100000 Total energy: -104.287301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.287301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.287301 (E_RNA) where: Base-Base interactions energy: -56.730 where: short stacking energy: -30.202 Base-Backbone interact. energy: -0.136 local terms energy: -47.421431 where: bonds (distance) C4'-P energy: -9.159 bonds (distance) P-C4' energy: -14.090 flat angles C4'-P-C4' energy: -10.180 flat angles P-C4'-P energy: -9.348 tors. eta vs tors. theta energy: -4.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 24 Temperature: 1.150000 Total energy: -86.285994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.285994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.285994 (E_RNA) where: Base-Base interactions energy: -37.020 where: short stacking energy: -26.493 Base-Backbone interact. energy: -0.642 local terms energy: -48.624789 where: bonds (distance) C4'-P energy: -9.861 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -13.364 flat angles P-C4'-P energy: -7.334 tors. eta vs tors. theta energy: -1.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 24 Temperature: 1.200000 Total energy: -90.406350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.406350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.406350 (E_RNA) where: Base-Base interactions energy: -32.225 where: short stacking energy: -32.225 Base-Backbone interact. energy: -0.013 local terms energy: -58.168073 where: bonds (distance) C4'-P energy: -10.369 bonds (distance) P-C4' energy: -14.784 flat angles C4'-P-C4' energy: -14.669 flat angles P-C4'-P energy: -10.412 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: 8, replica: 7 ===================================== Write number: 24 Temperature: 1.250000 Total energy: -77.460834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.460834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.460834 (E_RNA) where: Base-Base interactions energy: -30.254 where: short stacking energy: -29.238 Base-Backbone interact. energy: -0.204 local terms energy: -47.002550 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -11.673 flat angles C4'-P-C4' energy: -11.595 flat angles P-C4'-P energy: -7.377 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: 9, replica: 4 ===================================== Write number: 24 Temperature: 1.300000 Total energy: -82.298999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.298999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.298999 (E_RNA) where: Base-Base interactions energy: -33.480 where: short stacking energy: -24.485 Base-Backbone interact. energy: -0.131 local terms energy: -48.688572 where: bonds (distance) C4'-P energy: -9.468 bonds (distance) P-C4' energy: -14.982 flat angles C4'-P-C4' energy: -11.636 flat angles P-C4'-P energy: -9.195 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: 10, replica: 8 ===================================== Write number: 24 Temperature: 1.350000 Total energy: -74.569487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.569487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.569487 (E_RNA) where: Base-Base interactions energy: -28.188 where: short stacking energy: -28.188 Base-Backbone interact. energy: -0.109 local terms energy: -46.272528 where: bonds (distance) C4'-P energy: -15.633 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -7.778 flat angles P-C4'-P energy: -6.661 tors. eta vs tors. theta energy: -2.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 25 Temperature: 0.900000 Total energy: -201.165590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.165590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.165590 (E_RNA) where: Base-Base interactions energy: -133.312 where: short stacking energy: -65.925 Base-Backbone interact. energy: -0.002 local terms energy: -67.851711 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -15.961 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -16.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 25 Temperature: 0.950000 Total energy: -184.809184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.809184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.809184 (E_RNA) where: Base-Base interactions energy: -115.894 where: short stacking energy: -53.891 Base-Backbone interact. energy: 0.386 local terms energy: -69.301000 where: bonds (distance) C4'-P energy: -14.251 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -16.298 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: -16.176 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: 1 ===================================== Write number: 25 Temperature: 1.000000 Total energy: -187.852603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.852603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.852603 (E_RNA) where: Base-Base interactions energy: -124.627 where: short stacking energy: -51.954 Base-Backbone interact. energy: -0.151 local terms energy: -63.074910 where: bonds (distance) C4'-P energy: -14.908 bonds (distance) P-C4' energy: -10.924 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -7.342 tors. eta vs tors. theta energy: -15.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 25 Temperature: 1.050000 Total energy: -154.690036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.690036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.690036 (E_RNA) where: Base-Base interactions energy: -100.489 where: short stacking energy: -43.749 Base-Backbone interact. energy: -0.878 local terms energy: -53.323402 where: bonds (distance) C4'-P energy: -16.692 bonds (distance) P-C4' energy: -14.293 flat angles C4'-P-C4' energy: -13.071 flat angles P-C4'-P energy: -6.059 tors. eta vs tors. theta energy: -3.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 25 Temperature: 1.100000 Total energy: -121.063715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.063715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.063715 (E_RNA) where: Base-Base interactions energy: -58.265 where: short stacking energy: -38.298 Base-Backbone interact. energy: -0.320 local terms energy: -62.478977 where: bonds (distance) C4'-P energy: -14.437 bonds (distance) P-C4' energy: -11.424 flat angles C4'-P-C4' energy: -14.535 flat angles P-C4'-P energy: -10.865 tors. eta vs tors. theta energy: -11.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 25 Temperature: 1.150000 Total energy: -140.962882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.962882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.962882 (E_RNA) where: Base-Base interactions energy: -92.882 where: short stacking energy: -43.555 Base-Backbone interact. energy: -0.114 local terms energy: -47.967488 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -7.867 flat angles C4'-P-C4' energy: -9.656 flat angles P-C4'-P energy: -7.682 tors. eta vs tors. theta energy: -11.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 25 Temperature: 1.200000 Total energy: -82.299815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.299815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.299815 (E_RNA) where: Base-Base interactions energy: -28.193 where: short stacking energy: -28.193 Base-Backbone interact. energy: 0.262 local terms energy: -54.369067 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -7.591 tors. eta vs tors. theta energy: -5.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 25 Temperature: 1.250000 Total energy: -78.430849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.430849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.430849 (E_RNA) where: Base-Base interactions energy: -33.834 where: short stacking energy: -32.150 Base-Backbone interact. energy: -0.236 local terms energy: -44.360403 where: bonds (distance) C4'-P energy: -8.089 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -10.007 flat angles P-C4'-P energy: -2.553 tors. eta vs tors. theta energy: -9.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 25 Temperature: 1.300000 Total energy: -68.776017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.776017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.776017 (E_RNA) where: Base-Base interactions energy: -25.048 where: short stacking energy: -23.280 Base-Backbone interact. energy: -0.345 local terms energy: -43.382477 where: bonds (distance) C4'-P energy: -8.719 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -12.819 flat angles P-C4'-P energy: -7.671 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: 8 ===================================== Write number: 25 Temperature: 1.350000 Total energy: -90.524995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.524995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.524995 (E_RNA) where: Base-Base interactions energy: -43.134 where: short stacking energy: -35.838 Base-Backbone interact. energy: -0.232 local terms energy: -47.159613 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -7.720 flat angles P-C4'-P energy: -6.762 tors. eta vs tors. theta energy: -7.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 26 Temperature: 0.900000 Total energy: -207.234650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.234650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.234650 (E_RNA) where: Base-Base interactions energy: -133.744 where: short stacking energy: -58.178 Base-Backbone interact. energy: -0.093 local terms energy: -73.397223 where: bonds (distance) C4'-P energy: -16.033 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -11.681 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -20.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 26 Temperature: 0.950000 Total energy: -171.329183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.329183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.329183 (E_RNA) where: Base-Base interactions energy: -107.106 where: short stacking energy: -66.614 Base-Backbone interact. energy: -0.013 local terms energy: -64.209578 where: bonds (distance) C4'-P energy: -13.873 bonds (distance) P-C4' energy: -16.018 flat angles C4'-P-C4' energy: -10.184 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -15.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 26 Temperature: 1.000000 Total energy: -169.640379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.640379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.640379 (E_RNA) where: Base-Base interactions energy: -105.792 where: short stacking energy: -46.605 Base-Backbone interact. energy: -0.986 local terms energy: -62.862393 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -14.520 flat angles C4'-P-C4' energy: -11.955 flat angles P-C4'-P energy: -13.491 tors. eta vs tors. theta energy: -9.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 26 Temperature: 1.050000 Total energy: -186.788251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.788251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.788251 (E_RNA) where: Base-Base interactions energy: -117.602 where: short stacking energy: -55.344 Base-Backbone interact. energy: -0.065 local terms energy: -69.121250 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -13.677 flat angles C4'-P-C4' energy: -15.857 flat angles P-C4'-P energy: -10.994 tors. eta vs tors. theta energy: -15.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 26 Temperature: 1.100000 Total energy: -153.663754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.663754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.663754 (E_RNA) where: Base-Base interactions energy: -93.918 where: short stacking energy: -43.018 Base-Backbone interact. energy: 0.786 local terms energy: -60.531834 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -11.213 flat angles C4'-P-C4' energy: -14.213 flat angles P-C4'-P energy: -9.389 tors. eta vs tors. theta energy: -11.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 26 Temperature: 1.150000 Total energy: -110.718222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.718222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.718222 (E_RNA) where: Base-Base interactions energy: -60.581 where: short stacking energy: -31.271 Base-Backbone interact. energy: -0.030 local terms energy: -50.106794 where: bonds (distance) C4'-P energy: -13.564 bonds (distance) P-C4' energy: -11.033 flat angles C4'-P-C4' energy: -13.702 flat angles P-C4'-P energy: -4.842 tors. eta vs tors. theta energy: -6.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 26 Temperature: 1.200000 Total energy: -88.558781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.558781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.558781 (E_RNA) where: Base-Base interactions energy: -41.405 where: short stacking energy: -41.405 Base-Backbone interact. energy: -0.023 local terms energy: -47.130761 where: bonds (distance) C4'-P energy: -9.685 bonds (distance) P-C4' energy: -9.709 flat angles C4'-P-C4' energy: -13.492 flat angles P-C4'-P energy: -7.703 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: 8, replica: 5 ===================================== Write number: 26 Temperature: 1.250000 Total energy: -77.499908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.499908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.499908 (E_RNA) where: Base-Base interactions energy: -35.890 where: short stacking energy: -26.251 Base-Backbone interact. energy: -0.319 local terms energy: -41.290758 where: bonds (distance) C4'-P energy: -8.735 bonds (distance) P-C4' energy: -14.019 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -7.217 tors. eta vs tors. theta energy: -0.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 26 Temperature: 1.300000 Total energy: -81.745457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.745457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.745457 (E_RNA) where: Base-Base interactions energy: -38.743 where: short stacking energy: -36.987 Base-Backbone interact. energy: 1.056 local terms energy: -44.058778 where: bonds (distance) C4'-P energy: -8.276 bonds (distance) P-C4' energy: -10.386 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 26 Temperature: 1.350000 Total energy: -75.716802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.716802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.716802 (E_RNA) where: Base-Base interactions energy: -25.196 where: short stacking energy: -22.008 Base-Backbone interact. energy: -0.059 local terms energy: -50.461631 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -11.904 flat angles P-C4'-P energy: -7.088 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: 1, replica: 6 ===================================== Write number: 27 Temperature: 0.900000 Total energy: -200.211627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.211627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.211627 (E_RNA) where: Base-Base interactions energy: -135.176 where: short stacking energy: -58.413 Base-Backbone interact. energy: -0.193 local terms energy: -64.842252 where: bonds (distance) C4'-P energy: -13.330 bonds (distance) P-C4' energy: -13.215 flat angles C4'-P-C4' energy: -14.521 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: -17.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 27 Temperature: 0.950000 Total energy: -202.629269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.629269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.629269 (E_RNA) where: Base-Base interactions energy: -130.038 where: short stacking energy: -61.316 Base-Backbone interact. energy: -0.064 local terms energy: -72.526915 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -10.103 tors. eta vs tors. theta energy: -16.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 27 Temperature: 1.000000 Total energy: -171.533801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.533801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.533801 (E_RNA) where: Base-Base interactions energy: -113.689 where: short stacking energy: -59.825 Base-Backbone interact. energy: -0.024 local terms energy: -57.820019 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -10.629 flat angles C4'-P-C4' energy: -16.181 flat angles P-C4'-P energy: -7.883 tors. eta vs tors. theta energy: -12.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 27 Temperature: 1.050000 Total energy: -158.489755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.489755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.489755 (E_RNA) where: Base-Base interactions energy: -96.432 where: short stacking energy: -48.707 Base-Backbone interact. energy: -0.057 local terms energy: -62.000722 where: bonds (distance) C4'-P energy: -12.732 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -12.308 flat angles P-C4'-P energy: -12.339 tors. eta vs tors. theta energy: -12.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 27 Temperature: 1.100000 Total energy: -184.829869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.829869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.829869 (E_RNA) where: Base-Base interactions energy: -123.784 where: short stacking energy: -61.604 Base-Backbone interact. energy: -0.075 local terms energy: -60.971568 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -10.415 flat angles C4'-P-C4' energy: -15.001 flat angles P-C4'-P energy: -9.755 tors. eta vs tors. theta energy: -15.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 27 Temperature: 1.150000 Total energy: -94.593832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.593832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.593832 (E_RNA) where: Base-Base interactions energy: -39.255 where: short stacking energy: -39.255 Base-Backbone interact. energy: -0.070 local terms energy: -55.268844 where: bonds (distance) C4'-P energy: -9.464 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -10.902 flat angles P-C4'-P energy: -6.597 tors. eta vs tors. theta energy: -13.255 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: 7, replica: 2 ===================================== Write number: 27 Temperature: 1.200000 Total energy: -77.402137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.402137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.402137 (E_RNA) where: Base-Base interactions energy: -35.173 where: short stacking energy: -23.703 Base-Backbone interact. energy: -1.333 local terms energy: -40.896882 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -8.527 flat angles C4'-P-C4' energy: -12.540 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -0.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 27 Temperature: 1.250000 Total energy: -84.172101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.172101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.172101 (E_RNA) where: Base-Base interactions energy: -26.991 where: short stacking energy: -21.617 Base-Backbone interact. energy: 0.225 local terms energy: -57.405821 where: bonds (distance) C4'-P energy: -16.283 bonds (distance) P-C4' energy: -15.584 flat angles C4'-P-C4' energy: -13.764 flat angles P-C4'-P energy: -8.620 tors. eta vs tors. theta energy: -3.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 27 Temperature: 1.300000 Total energy: -76.819928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.819928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.819928 (E_RNA) where: Base-Base interactions energy: -32.845 where: short stacking energy: -21.404 Base-Backbone interact. energy: -0.174 local terms energy: -43.800896 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -10.344 flat angles P-C4'-P energy: -8.870 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: 10, replica: 4 ===================================== Write number: 27 Temperature: 1.350000 Total energy: -87.369423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.369423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.369423 (E_RNA) where: Base-Base interactions energy: -36.594 where: short stacking energy: -36.594 Base-Backbone interact. energy: -0.102 local terms energy: -50.673301 where: bonds (distance) C4'-P energy: -9.224 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -8.151 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: 1, replica: 9 ===================================== Write number: 28 Temperature: 0.900000 Total energy: -211.892807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.892807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.892807 (E_RNA) where: Base-Base interactions energy: -144.756 where: short stacking energy: -65.477 Base-Backbone interact. energy: -0.006 local terms energy: -67.130621 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -12.339 flat angles C4'-P-C4' energy: -14.443 flat angles P-C4'-P energy: -10.241 tors. eta vs tors. theta energy: -17.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 28 Temperature: 0.950000 Total energy: -190.740951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.740951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.740951 (E_RNA) where: Base-Base interactions energy: -122.859 where: short stacking energy: -53.735 Base-Backbone interact. energy: -0.334 local terms energy: -67.548026 where: bonds (distance) C4'-P energy: -15.177 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -9.034 tors. eta vs tors. theta energy: -14.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 28 Temperature: 1.000000 Total energy: -159.708770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.708770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.708770 (E_RNA) where: Base-Base interactions energy: -100.994 where: short stacking energy: -47.836 Base-Backbone interact. energy: 1.589 local terms energy: -60.303064 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -14.539 flat angles C4'-P-C4' energy: -12.756 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -12.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 28 Temperature: 1.050000 Total energy: -168.433636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.433636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.433636 (E_RNA) where: Base-Base interactions energy: -110.352 where: short stacking energy: -56.338 Base-Backbone interact. energy: -0.027 local terms energy: -58.054511 where: bonds (distance) C4'-P energy: -9.361 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -13.826 flat angles P-C4'-P energy: -6.325 tors. eta vs tors. theta energy: -14.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 28 Temperature: 1.100000 Total energy: -177.076844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.076844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.076844 (E_RNA) where: Base-Base interactions energy: -112.262 where: short stacking energy: -53.751 Base-Backbone interact. energy: -0.041 local terms energy: -64.774379 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -15.332 flat angles C4'-P-C4' energy: -13.817 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -13.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 28 Temperature: 1.150000 Total energy: -102.565210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.565210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.565210 (E_RNA) where: Base-Base interactions energy: -45.221 where: short stacking energy: -44.262 Base-Backbone interact. energy: -0.027 local terms energy: -57.317059 where: bonds (distance) C4'-P energy: -12.996 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -11.596 flat angles P-C4'-P energy: -8.843 tors. eta vs tors. theta energy: -9.498 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: 7, replica: 8 ===================================== Write number: 28 Temperature: 1.200000 Total energy: -100.010628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.010628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.010628 (E_RNA) where: Base-Base interactions energy: -43.826 where: short stacking energy: -28.539 Base-Backbone interact. energy: -0.080 local terms energy: -56.104597 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -14.305 flat angles C4'-P-C4' energy: -12.783 flat angles P-C4'-P energy: -10.340 tors. eta vs tors. theta energy: -4.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 28 Temperature: 1.250000 Total energy: -78.265874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.265874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.265874 (E_RNA) where: Base-Base interactions energy: -35.104 where: short stacking energy: -35.104 Base-Backbone interact. energy: -0.066 local terms energy: -43.095490 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -12.521 flat angles C4'-P-C4' energy: -9.739 flat angles P-C4'-P energy: -3.984 tors. eta vs tors. theta energy: -3.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 28 Temperature: 1.300000 Total energy: -74.022657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.022657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.022657 (E_RNA) where: Base-Base interactions energy: -26.217 where: short stacking energy: -26.217 Base-Backbone interact. energy: 0.288 local terms energy: -48.093470 where: bonds (distance) C4'-P energy: -12.867 bonds (distance) P-C4' energy: -14.045 flat angles C4'-P-C4' energy: -11.607 flat angles P-C4'-P energy: -8.462 tors. eta vs tors. theta energy: -1.112 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: 10, replica: 4 ===================================== Write number: 28 Temperature: 1.350000 Total energy: -80.076384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.076384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.076384 (E_RNA) where: Base-Base interactions energy: -29.396 where: short stacking energy: -26.763 Base-Backbone interact. energy: -0.004 local terms energy: -50.676604 where: bonds (distance) C4'-P energy: -11.585 bonds (distance) P-C4' energy: -13.928 flat angles C4'-P-C4' energy: -8.579 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -8.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 29 Temperature: 0.900000 Total energy: -214.814214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.814214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.814214 (E_RNA) where: Base-Base interactions energy: -138.864 where: short stacking energy: -67.843 Base-Backbone interact. energy: -0.127 local terms energy: -75.823194 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -12.496 flat angles C4'-P-C4' energy: -15.194 flat angles P-C4'-P energy: -12.858 tors. eta vs tors. theta energy: -20.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 29 Temperature: 0.950000 Total energy: -186.976223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.976223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.976223 (E_RNA) where: Base-Base interactions energy: -119.421 where: short stacking energy: -55.143 Base-Backbone interact. energy: -0.122 local terms energy: -67.433147 where: bonds (distance) C4'-P energy: -15.857 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -13.021 flat angles P-C4'-P energy: -11.178 tors. eta vs tors. theta energy: -12.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 29 Temperature: 1.000000 Total energy: -152.717109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.717109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.717109 (E_RNA) where: Base-Base interactions energy: -91.479 where: short stacking energy: -50.017 Base-Backbone interact. energy: -1.220 local terms energy: -60.018635 where: bonds (distance) C4'-P energy: -9.568 bonds (distance) P-C4' energy: -13.553 flat angles C4'-P-C4' energy: -14.205 flat angles P-C4'-P energy: -8.407 tors. eta vs tors. theta energy: -14.286 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: 1 ===================================== Write number: 29 Temperature: 1.050000 Total energy: -179.418616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.418616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.418616 (E_RNA) where: Base-Base interactions energy: -117.051 where: short stacking energy: -56.092 Base-Backbone interact. energy: 0.264 local terms energy: -62.631564 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -12.652 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -16.225 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: 3 ===================================== Write number: 29 Temperature: 1.100000 Total energy: -165.606948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.606948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.606948 (E_RNA) where: Base-Base interactions energy: -110.298 where: short stacking energy: -48.929 Base-Backbone interact. energy: -0.100 local terms energy: -55.208838 where: bonds (distance) C4'-P energy: -7.817 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -13.155 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -15.584 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: 8 ===================================== Write number: 29 Temperature: 1.150000 Total energy: -92.996874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.996874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.996874 (E_RNA) where: Base-Base interactions energy: -38.376 where: short stacking energy: -29.975 Base-Backbone interact. energy: -0.110 local terms energy: -54.510951 where: bonds (distance) C4'-P energy: -12.440 bonds (distance) P-C4' energy: -14.746 flat angles C4'-P-C4' energy: -12.422 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -4.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 29 Temperature: 1.200000 Total energy: -85.490325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.490325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.490325 (E_RNA) where: Base-Base interactions energy: -42.474 where: short stacking energy: -26.403 Base-Backbone interact. energy: -0.228 local terms energy: -42.788610 where: bonds (distance) C4'-P energy: -12.043 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -11.012 flat angles P-C4'-P energy: -1.683 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: 8, replica: 5 ===================================== Write number: 29 Temperature: 1.250000 Total energy: -94.690045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.690045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.690045 (E_RNA) where: Base-Base interactions energy: -38.149 where: short stacking energy: -33.970 Base-Backbone interact. energy: -0.197 local terms energy: -56.343564 where: bonds (distance) C4'-P energy: -13.943 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -12.760 flat angles P-C4'-P energy: -5.989 tors. eta vs tors. theta energy: -11.586 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: 9, replica: 2 ===================================== Write number: 29 Temperature: 1.300000 Total energy: -79.231762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.231762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.231762 (E_RNA) where: Base-Base interactions energy: -33.782 where: short stacking energy: -27.968 Base-Backbone interact. energy: -0.162 local terms energy: -45.288085 where: bonds (distance) C4'-P energy: -8.587 bonds (distance) P-C4' energy: -11.165 flat angles C4'-P-C4' energy: -10.518 flat angles P-C4'-P energy: -8.343 tors. eta vs tors. theta energy: -6.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 29 Temperature: 1.350000 Total energy: -65.954083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.954083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.954083 (E_RNA) where: Base-Base interactions energy: -27.380 where: short stacking energy: -25.970 Base-Backbone interact. energy: 0.113 local terms energy: -38.687477 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -11.757 flat angles P-C4'-P energy: -6.120 tors. eta vs tors. theta energy: 3.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 30 Temperature: 0.900000 Total energy: -209.686144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.686144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.686144 (E_RNA) where: Base-Base interactions energy: -141.602 where: short stacking energy: -61.764 Base-Backbone interact. energy: -0.001 local terms energy: -68.082840 where: bonds (distance) C4'-P energy: -11.556 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -14.251 flat angles P-C4'-P energy: -11.026 tors. eta vs tors. theta energy: -16.203 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: 6 ===================================== Write number: 30 Temperature: 0.950000 Total energy: -195.210572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.210572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.210572 (E_RNA) where: Base-Base interactions energy: -125.519 where: short stacking energy: -66.799 Base-Backbone interact. energy: -0.866 local terms energy: -68.826026 where: bonds (distance) C4'-P energy: -11.129 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -8.784 tors. eta vs tors. theta energy: -19.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 30 Temperature: 1.000000 Total energy: -178.873866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.873866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.873866 (E_RNA) where: Base-Base interactions energy: -113.515 where: short stacking energy: -54.556 Base-Backbone interact. energy: -0.137 local terms energy: -65.221739 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -9.351 tors. eta vs tors. theta energy: -15.654 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: 30 Temperature: 1.050000 Total energy: -144.789720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.789720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.789720 (E_RNA) where: Base-Base interactions energy: -86.298 where: short stacking energy: -45.795 Base-Backbone interact. energy: -0.001 local terms energy: -58.490417 where: bonds (distance) C4'-P energy: -16.361 bonds (distance) P-C4' energy: -10.849 flat angles C4'-P-C4' energy: -11.011 flat angles P-C4'-P energy: -9.090 tors. eta vs tors. theta energy: -11.179 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: 3 ===================================== Write number: 30 Temperature: 1.100000 Total energy: -142.100977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.100977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.100977 (E_RNA) where: Base-Base interactions energy: -90.801 where: short stacking energy: -48.653 Base-Backbone interact. energy: -0.151 local terms energy: -51.148867 where: bonds (distance) C4'-P energy: -14.583 bonds (distance) P-C4' energy: -8.443 flat angles C4'-P-C4' energy: -11.166 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -9.756 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: 8 ===================================== Write number: 30 Temperature: 1.150000 Total energy: -95.715417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.715417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.715417 (E_RNA) where: Base-Base interactions energy: -51.507 where: short stacking energy: -38.278 Base-Backbone interact. energy: -0.037 local terms energy: -44.170626 where: bonds (distance) C4'-P energy: -6.524 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -11.558 flat angles P-C4'-P energy: -8.344 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: 7, replica: 7 ===================================== Write number: 30 Temperature: 1.200000 Total energy: -90.924264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.924264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.924264 (E_RNA) where: Base-Base interactions energy: -39.910 where: short stacking energy: -33.142 Base-Backbone interact. energy: -0.004 local terms energy: -51.009985 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -12.712 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -10.538 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: 8, replica: 5 ===================================== Write number: 30 Temperature: 1.250000 Total energy: -81.238045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.238045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.238045 (E_RNA) where: Base-Base interactions energy: -42.274 where: short stacking energy: -42.274 Base-Backbone interact. energy: -0.186 local terms energy: -38.778556 where: bonds (distance) C4'-P energy: -6.086 bonds (distance) P-C4' energy: -11.157 flat angles C4'-P-C4' energy: -12.293 flat angles P-C4'-P energy: -1.133 tors. eta vs tors. theta energy: -8.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 30 Temperature: 1.300000 Total energy: -76.516384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.516384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.516384 (E_RNA) where: Base-Base interactions energy: -29.197 where: short stacking energy: -29.197 Base-Backbone interact. energy: -0.067 local terms energy: -47.252148 where: bonds (distance) C4'-P energy: -11.651 bonds (distance) P-C4' energy: -15.057 flat angles C4'-P-C4' energy: -9.346 flat angles P-C4'-P energy: -6.873 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: 2 ===================================== Write number: 30 Temperature: 1.350000 Total energy: -74.301068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.301068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.301068 (E_RNA) where: Base-Base interactions energy: -26.613 where: short stacking energy: -26.613 Base-Backbone interact. energy: -0.053 local terms energy: -47.635233 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -9.625 flat angles C4'-P-C4' energy: -12.128 flat angles P-C4'-P energy: -7.214 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: 1, replica: 9 ===================================== Write number: 31 Temperature: 0.900000 Total energy: -212.358496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.358496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.358496 (E_RNA) where: Base-Base interactions energy: -133.832 where: short stacking energy: -65.929 Base-Backbone interact. energy: -0.006 local terms energy: -78.520590 where: bonds (distance) C4'-P energy: -14.179 bonds (distance) P-C4' energy: -15.843 flat angles C4'-P-C4' energy: -16.319 flat angles P-C4'-P energy: -12.230 tors. eta vs tors. theta energy: -19.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 31 Temperature: 0.950000 Total energy: -194.041790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.041790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.041790 (E_RNA) where: Base-Base interactions energy: -119.506 where: short stacking energy: -56.543 Base-Backbone interact. energy: -0.002 local terms energy: -74.532919 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -16.783 flat angles P-C4'-P energy: -11.882 tors. eta vs tors. theta energy: -16.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 31 Temperature: 1.000000 Total energy: -187.176832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.176832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.176832 (E_RNA) where: Base-Base interactions energy: -120.381 where: short stacking energy: -56.912 Base-Backbone interact. energy: -0.050 local terms energy: -66.745260 where: bonds (distance) C4'-P energy: -12.209 bonds (distance) P-C4' energy: -15.956 flat angles C4'-P-C4' energy: -15.238 flat angles P-C4'-P energy: -11.609 tors. eta vs tors. theta energy: -11.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 31 Temperature: 1.050000 Total energy: -155.450977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.450977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.450977 (E_RNA) where: Base-Base interactions energy: -92.628 where: short stacking energy: -52.498 Base-Backbone interact. energy: -0.034 local terms energy: -62.788669 where: bonds (distance) C4'-P energy: -14.735 bonds (distance) P-C4' energy: -13.354 flat angles C4'-P-C4' energy: -10.038 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -17.145 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: 10 ===================================== Write number: 31 Temperature: 1.100000 Total energy: -158.760639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.760639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.760639 (E_RNA) where: Base-Base interactions energy: -101.696 where: short stacking energy: -46.873 Base-Backbone interact. energy: -0.271 local terms energy: -56.793984 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -10.883 flat angles C4'-P-C4' energy: -10.819 flat angles P-C4'-P energy: -11.428 tors. eta vs tors. theta energy: -12.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 31 Temperature: 1.150000 Total energy: -90.283993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.283993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.283993 (E_RNA) where: Base-Base interactions energy: -34.945 where: short stacking energy: -34.945 Base-Backbone interact. energy: 0.105 local terms energy: -55.444655 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -13.552 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -7.674 tors. eta vs tors. theta energy: -9.006 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: 8 ===================================== Write number: 31 Temperature: 1.200000 Total energy: -105.375200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.375200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.375200 (E_RNA) where: Base-Base interactions energy: -50.860 where: short stacking energy: -46.652 Base-Backbone interact. energy: -0.078 local terms energy: -54.436768 where: bonds (distance) C4'-P energy: -9.989 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -7.535 tors. eta vs tors. theta energy: -10.016 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: 4 ===================================== Write number: 31 Temperature: 1.250000 Total energy: -81.537876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.537876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.537876 (E_RNA) where: Base-Base interactions energy: -31.261 where: short stacking energy: -24.279 Base-Backbone interact. energy: -0.320 local terms energy: -49.957547 where: bonds (distance) C4'-P energy: -10.305 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -5.429 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: 9, replica: 5 ===================================== Write number: 31 Temperature: 1.300000 Total energy: -81.843109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.843109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.843109 (E_RNA) where: Base-Base interactions energy: -31.119 where: short stacking energy: -27.994 Base-Backbone interact. energy: -0.177 local terms energy: -50.546577 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -9.054 tors. eta vs tors. theta energy: -7.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 31 Temperature: 1.350000 Total energy: -74.862346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.862346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.862346 (E_RNA) where: Base-Base interactions energy: -31.854 where: short stacking energy: -26.708 Base-Backbone interact. energy: -0.126 local terms energy: -42.883082 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -12.094 flat angles P-C4'-P energy: -4.209 tors. eta vs tors. theta energy: 1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 32 Temperature: 0.900000 Total energy: -208.445841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.445841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.445841 (E_RNA) where: Base-Base interactions energy: -135.355 where: short stacking energy: -64.072 Base-Backbone interact. energy: -0.001 local terms energy: -73.090482 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -16.132 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -18.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 32 Temperature: 0.950000 Total energy: -189.990895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.990895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.990895 (E_RNA) where: Base-Base interactions energy: -123.566 where: short stacking energy: -57.331 Base-Backbone interact. energy: -0.004 local terms energy: -66.420875 where: bonds (distance) C4'-P energy: -14.051 bonds (distance) P-C4' energy: -16.837 flat angles C4'-P-C4' energy: -11.603 flat angles P-C4'-P energy: -5.369 tors. eta vs tors. theta energy: -18.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 32 Temperature: 1.000000 Total energy: -182.150208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.150208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.150208 (E_RNA) where: Base-Base interactions energy: -122.017 where: short stacking energy: -58.887 Base-Backbone interact. energy: -0.066 local terms energy: -60.067943 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -13.675 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -7.864 tors. eta vs tors. theta energy: -12.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 32 Temperature: 1.050000 Total energy: -156.731628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.731628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.731628 (E_RNA) where: Base-Base interactions energy: -88.699 where: short stacking energy: -52.226 Base-Backbone interact. energy: -0.100 local terms energy: -67.932034 where: bonds (distance) C4'-P energy: -12.659 bonds (distance) P-C4' energy: -12.235 flat angles C4'-P-C4' energy: -16.947 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -16.187 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: 10 ===================================== Write number: 32 Temperature: 1.100000 Total energy: -176.142691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.142691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.142691 (E_RNA) where: Base-Base interactions energy: -113.331 where: short stacking energy: -54.385 Base-Backbone interact. energy: -0.102 local terms energy: -62.710412 where: bonds (distance) C4'-P energy: -13.708 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -14.372 flat angles P-C4'-P energy: -9.091 tors. eta vs tors. theta energy: -14.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 32 Temperature: 1.150000 Total energy: -95.558214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.558214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.558214 (E_RNA) where: Base-Base interactions energy: -43.241 where: short stacking energy: -32.624 Base-Backbone interact. energy: -0.306 local terms energy: -52.011880 where: bonds (distance) C4'-P energy: -12.094 bonds (distance) P-C4' energy: -15.396 flat angles C4'-P-C4' energy: -9.989 flat angles P-C4'-P energy: -6.625 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: 7, replica: 8 ===================================== Write number: 32 Temperature: 1.200000 Total energy: -118.807305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -118.807305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -118.807305 (E_RNA) where: Base-Base interactions energy: -66.722 where: short stacking energy: -39.285 Base-Backbone interact. energy: -0.101 local terms energy: -51.984076 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -10.681 flat angles P-C4'-P energy: -7.256 tors. eta vs tors. theta energy: -6.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 32 Temperature: 1.250000 Total energy: -103.140112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.140112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.140112 (E_RNA) where: Base-Base interactions energy: -45.516 where: short stacking energy: -28.276 Base-Backbone interact. energy: -0.026 local terms energy: -57.598493 where: bonds (distance) C4'-P energy: -14.105 bonds (distance) P-C4' energy: -12.412 flat angles C4'-P-C4' energy: -14.232 flat angles P-C4'-P energy: -11.574 tors. eta vs tors. theta energy: -5.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 32 Temperature: 1.300000 Total energy: -87.607500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.607500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.607500 (E_RNA) where: Base-Base interactions energy: -36.421 where: short stacking energy: -24.399 Base-Backbone interact. energy: -0.120 local terms energy: -51.066299 where: bonds (distance) C4'-P energy: -16.097 bonds (distance) P-C4' energy: -10.711 flat angles C4'-P-C4' energy: -11.997 flat angles P-C4'-P energy: -5.737 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: 10, replica: 5 ===================================== Write number: 32 Temperature: 1.350000 Total energy: -70.178946 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.178946 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.178946 (E_RNA) where: Base-Base interactions energy: -24.266 where: short stacking energy: -24.266 Base-Backbone interact. energy: -0.000 local terms energy: -45.912005 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -4.032 flat angles P-C4'-P energy: -6.383 tors. eta vs tors. theta energy: -6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 33 Temperature: 0.900000 Total energy: -202.373533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.373533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.373533 (E_RNA) where: Base-Base interactions energy: -133.683 where: short stacking energy: -59.422 Base-Backbone interact. energy: 1.721 local terms energy: -70.411912 where: bonds (distance) C4'-P energy: -14.798 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -16.781 flat angles P-C4'-P energy: -9.061 tors. eta vs tors. theta energy: -16.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 33 Temperature: 0.950000 Total energy: -184.258558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.258558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.258558 (E_RNA) where: Base-Base interactions energy: -114.759 where: short stacking energy: -54.708 Base-Backbone interact. energy: -0.036 local terms energy: -69.463251 where: bonds (distance) C4'-P energy: -15.418 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -16.343 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -14.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 33 Temperature: 1.000000 Total energy: -180.433991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.433991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.433991 (E_RNA) where: Base-Base interactions energy: -110.406 where: short stacking energy: -55.137 Base-Backbone interact. energy: -0.091 local terms energy: -69.936167 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -15.592 flat angles P-C4'-P energy: -8.346 tors. eta vs tors. theta energy: -17.718 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: 10 ===================================== Write number: 33 Temperature: 1.050000 Total energy: -168.798877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.798877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.798877 (E_RNA) where: Base-Base interactions energy: -104.884 where: short stacking energy: -54.515 Base-Backbone interact. energy: -0.099 local terms energy: -63.816332 where: bonds (distance) C4'-P energy: -9.075 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -9.557 tors. eta vs tors. theta energy: -15.061 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: 3 ===================================== Write number: 33 Temperature: 1.100000 Total energy: -140.939130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -140.939130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -140.939130 (E_RNA) where: Base-Base interactions energy: -87.217 where: short stacking energy: -41.602 Base-Backbone interact. energy: -0.430 local terms energy: -53.292696 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -11.651 flat angles P-C4'-P energy: -2.176 tors. eta vs tors. theta energy: -12.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 33 Temperature: 1.150000 Total energy: -150.676354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.676354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.676354 (E_RNA) where: Base-Base interactions energy: -97.806 where: short stacking energy: -52.079 Base-Backbone interact. energy: -0.775 local terms energy: -52.096236 where: bonds (distance) C4'-P energy: -4.827 bonds (distance) P-C4' energy: -12.035 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -8.744 tors. eta vs tors. theta energy: -12.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 33 Temperature: 1.200000 Total energy: -85.742807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.742807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.742807 (E_RNA) where: Base-Base interactions energy: -35.198 where: short stacking energy: -28.717 Base-Backbone interact. energy: -0.732 local terms energy: -49.812827 where: bonds (distance) C4'-P energy: -11.150 bonds (distance) P-C4' energy: -11.614 flat angles C4'-P-C4' energy: -10.955 flat angles P-C4'-P energy: -9.580 tors. eta vs tors. theta energy: -6.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 33 Temperature: 1.250000 Total energy: -77.940769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.940769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.940769 (E_RNA) where: Base-Base interactions energy: -29.320 where: short stacking energy: -29.320 Base-Backbone interact. energy: -0.478 local terms energy: -48.143009 where: bonds (distance) C4'-P energy: -14.200 bonds (distance) P-C4' energy: -13.880 flat angles C4'-P-C4' energy: -11.453 flat angles P-C4'-P energy: -3.088 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: 4 ===================================== Write number: 33 Temperature: 1.300000 Total energy: -79.436803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.436803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.436803 (E_RNA) where: Base-Base interactions energy: -31.757 where: short stacking energy: -21.041 Base-Backbone interact. energy: -0.158 local terms energy: -47.521136 where: bonds (distance) C4'-P energy: -14.063 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -11.325 flat angles P-C4'-P energy: -8.505 tors. eta vs tors. theta energy: -0.078 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: 5 ===================================== Write number: 33 Temperature: 1.350000 Total energy: -73.730039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.730039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.730039 (E_RNA) where: Base-Base interactions energy: -30.771 where: short stacking energy: -30.771 Base-Backbone interact. energy: -0.001 local terms energy: -42.958523 where: bonds (distance) C4'-P energy: -10.796 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -12.950 flat angles P-C4'-P energy: -1.909 tors. eta vs tors. theta energy: -4.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 34 Temperature: 0.900000 Total energy: -216.861652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.861652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.861652 (E_RNA) where: Base-Base interactions energy: -145.677 where: short stacking energy: -73.586 Base-Backbone interact. energy: -0.014 local terms energy: -71.170588 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -15.889 flat angles C4'-P-C4' energy: -14.825 flat angles P-C4'-P energy: -8.429 tors. eta vs tors. theta energy: -17.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 34 Temperature: 0.950000 Total energy: -184.148560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.148560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.148560 (E_RNA) where: Base-Base interactions energy: -118.385 where: short stacking energy: -61.761 Base-Backbone interact. energy: -0.126 local terms energy: -65.637448 where: bonds (distance) C4'-P energy: -14.263 bonds (distance) P-C4' energy: -13.401 flat angles C4'-P-C4' energy: -12.778 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -15.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 34 Temperature: 1.000000 Total energy: -186.766251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.766251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.766251 (E_RNA) where: Base-Base interactions energy: -125.104 where: short stacking energy: -61.784 Base-Backbone interact. energy: -0.016 local terms energy: -61.646296 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -11.820 flat angles C4'-P-C4' energy: -14.397 flat angles P-C4'-P energy: -7.844 tors. eta vs tors. theta energy: -14.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 34 Temperature: 1.050000 Total energy: -174.946090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.946090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.946090 (E_RNA) where: Base-Base interactions energy: -111.736 where: short stacking energy: -50.448 Base-Backbone interact. energy: -0.003 local terms energy: -63.207122 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -13.569 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -12.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 34 Temperature: 1.100000 Total energy: -139.479600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -139.479600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -139.479600 (E_RNA) where: Base-Base interactions energy: -81.504 where: short stacking energy: -26.019 Base-Backbone interact. energy: -0.537 local terms energy: -57.438024 where: bonds (distance) C4'-P energy: -10.139 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -15.751 flat angles P-C4'-P energy: -8.840 tors. eta vs tors. theta energy: -6.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 34 Temperature: 1.150000 Total energy: -141.279574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.279574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.279574 (E_RNA) where: Base-Base interactions energy: -91.765 where: short stacking energy: -50.035 Base-Backbone interact. energy: -0.298 local terms energy: -49.216244 where: bonds (distance) C4'-P energy: -5.523 bonds (distance) P-C4' energy: -9.683 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -9.156 tors. eta vs tors. theta energy: -12.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 34 Temperature: 1.200000 Total energy: -84.759474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.759474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.759474 (E_RNA) where: Base-Base interactions energy: -37.650 where: short stacking energy: -27.126 Base-Backbone interact. energy: -0.575 local terms energy: -46.534241 where: bonds (distance) C4'-P energy: -9.950 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -11.707 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: 0.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 34 Temperature: 1.250000 Total energy: -99.051787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.051787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.051787 (E_RNA) where: Base-Base interactions energy: -39.459 where: short stacking energy: -34.996 Base-Backbone interact. energy: -0.175 local terms energy: -59.418099 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -8.442 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: 9, replica: 5 ===================================== Write number: 34 Temperature: 1.300000 Total energy: -73.215252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.215252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.215252 (E_RNA) where: Base-Base interactions energy: -20.166 where: short stacking energy: -14.169 Base-Backbone interact. energy: 1.003 local terms energy: -54.052701 where: bonds (distance) C4'-P energy: -16.391 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -14.078 flat angles P-C4'-P energy: -10.565 tors. eta vs tors. theta energy: 2.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 34 Temperature: 1.350000 Total energy: -82.095645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.095645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.095645 (E_RNA) where: Base-Base interactions energy: -38.644 where: short stacking energy: -19.690 Base-Backbone interact. energy: -0.208 local terms energy: -43.243583 where: bonds (distance) C4'-P energy: -15.132 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -9.459 flat angles P-C4'-P energy: -5.217 tors. eta vs tors. theta energy: 0.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 35 Temperature: 0.900000 Total energy: -208.300257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.300257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.300257 (E_RNA) where: Base-Base interactions energy: -137.695 where: short stacking energy: -60.284 Base-Backbone interact. energy: -0.000 local terms energy: -70.605312 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -12.873 flat angles P-C4'-P energy: -10.476 tors. eta vs tors. theta energy: -19.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 35 Temperature: 0.950000 Total energy: -196.886072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.886072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.886072 (E_RNA) where: Base-Base interactions energy: -129.589 where: short stacking energy: -64.364 Base-Backbone interact. energy: -0.033 local terms energy: -67.263633 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -15.239 flat angles P-C4'-P energy: -7.657 tors. eta vs tors. theta energy: -16.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 35 Temperature: 1.000000 Total energy: -183.556130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.556130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.556130 (E_RNA) where: Base-Base interactions energy: -126.109 where: short stacking energy: -54.590 Base-Backbone interact. energy: 0.043 local terms energy: -57.490966 where: bonds (distance) C4'-P energy: -15.757 bonds (distance) P-C4' energy: -9.137 flat angles C4'-P-C4' energy: -14.730 flat angles P-C4'-P energy: -5.629 tors. eta vs tors. theta energy: -12.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 35 Temperature: 1.050000 Total energy: -174.630954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.630954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.630954 (E_RNA) where: Base-Base interactions energy: -113.264 where: short stacking energy: -57.103 Base-Backbone interact. energy: -1.150 local terms energy: -60.216665 where: bonds (distance) C4'-P energy: -7.652 bonds (distance) P-C4' energy: -11.351 flat angles C4'-P-C4' energy: -13.729 flat angles P-C4'-P energy: -10.233 tors. eta vs tors. theta energy: -17.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 35 Temperature: 1.100000 Total energy: -160.367880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.367880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.367880 (E_RNA) where: Base-Base interactions energy: -104.804 where: short stacking energy: -42.544 Base-Backbone interact. energy: 0.902 local terms energy: -56.466306 where: bonds (distance) C4'-P energy: -10.686 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -8.877 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -11.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 35 Temperature: 1.150000 Total energy: -144.877184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.877184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.877184 (E_RNA) where: Base-Base interactions energy: -91.646 where: short stacking energy: -42.392 Base-Backbone interact. energy: 1.619 local terms energy: -54.850230 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -8.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 35 Temperature: 1.200000 Total energy: -95.609129 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.609129 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.609129 (E_RNA) where: Base-Base interactions energy: -44.741 where: short stacking energy: -34.276 Base-Backbone interact. energy: -0.699 local terms energy: -50.169003 where: bonds (distance) C4'-P energy: -6.881 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -11.211 flat angles P-C4'-P energy: -9.712 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: 8, replica: 5 ===================================== Write number: 35 Temperature: 1.250000 Total energy: -75.414672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.414672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.414672 (E_RNA) where: Base-Base interactions energy: -29.116 where: short stacking energy: -20.968 Base-Backbone interact. energy: 0.267 local terms energy: -46.565557 where: bonds (distance) C4'-P energy: -12.266 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -4.521 flat angles P-C4'-P energy: -8.655 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: 7 ===================================== Write number: 35 Temperature: 1.300000 Total energy: -76.971845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.971845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.971845 (E_RNA) where: Base-Base interactions energy: -27.598 where: short stacking energy: -27.598 Base-Backbone interact. energy: -0.201 local terms energy: -49.172788 where: bonds (distance) C4'-P energy: -10.412 bonds (distance) P-C4' energy: -11.761 flat angles C4'-P-C4' energy: -15.726 flat angles P-C4'-P energy: -10.261 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: 10, replica: 4 ===================================== Write number: 35 Temperature: 1.350000 Total energy: -72.546044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.546044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.546044 (E_RNA) where: Base-Base interactions energy: -27.610 where: short stacking energy: -19.948 Base-Backbone interact. energy: -0.007 local terms energy: -44.928752 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -10.398 flat angles P-C4'-P energy: -6.277 tors. eta vs tors. theta energy: -1.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 36 Temperature: 0.900000 Total energy: -210.672063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.672063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.672063 (E_RNA) where: Base-Base interactions energy: -142.332 where: short stacking energy: -66.572 Base-Backbone interact. energy: -0.006 local terms energy: -68.334304 where: bonds (distance) C4'-P energy: -15.392 bonds (distance) P-C4' energy: -13.272 flat angles C4'-P-C4' energy: -11.874 flat angles P-C4'-P energy: -8.706 tors. eta vs tors. theta energy: -19.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 36 Temperature: 0.950000 Total energy: -194.862495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.862495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.862495 (E_RNA) where: Base-Base interactions energy: -129.161 where: short stacking energy: -60.483 Base-Backbone interact. energy: -0.068 local terms energy: -65.633525 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -17.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 36 Temperature: 1.000000 Total energy: -178.185463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.185463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.185463 (E_RNA) where: Base-Base interactions energy: -117.772 where: short stacking energy: -47.583 Base-Backbone interact. energy: -0.209 local terms energy: -60.204377 where: bonds (distance) C4'-P energy: -8.475 bonds (distance) P-C4' energy: -14.071 flat angles C4'-P-C4' energy: -14.615 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -15.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 36 Temperature: 1.050000 Total energy: -186.279947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.279947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.279947 (E_RNA) where: Base-Base interactions energy: -120.952 where: short stacking energy: -56.136 Base-Backbone interact. energy: -0.680 local terms energy: -64.647184 where: bonds (distance) C4'-P energy: -11.638 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -7.672 tors. eta vs tors. theta energy: -16.681 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: 8 ===================================== Write number: 36 Temperature: 1.100000 Total energy: -173.317677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.317677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.317677 (E_RNA) where: Base-Base interactions energy: -107.759 where: short stacking energy: -52.504 Base-Backbone interact. energy: -0.008 local terms energy: -65.550877 where: bonds (distance) C4'-P energy: -12.035 bonds (distance) P-C4' energy: -15.190 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -9.899 tors. eta vs tors. theta energy: -15.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 36 Temperature: 1.150000 Total energy: -164.140097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.140097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.140097 (E_RNA) where: Base-Base interactions energy: -104.624 where: short stacking energy: -55.531 Base-Backbone interact. energy: -0.668 local terms energy: -58.848277 where: bonds (distance) C4'-P energy: -13.858 bonds (distance) P-C4' energy: -13.009 flat angles C4'-P-C4' energy: -13.056 flat angles P-C4'-P energy: -6.908 tors. eta vs tors. theta energy: -12.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 36 Temperature: 1.200000 Total energy: -127.332776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.332776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.332776 (E_RNA) where: Base-Base interactions energy: -74.410 where: short stacking energy: -40.945 Base-Backbone interact. energy: -0.262 local terms energy: -52.660070 where: bonds (distance) C4'-P energy: -13.137 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -8.194 tors. eta vs tors. theta energy: -5.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 36 Temperature: 1.250000 Total energy: -83.568975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.568975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.568975 (E_RNA) where: Base-Base interactions energy: -30.264 where: short stacking energy: -20.315 Base-Backbone interact. energy: -1.168 local terms energy: -52.136895 where: bonds (distance) C4'-P energy: -12.537 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -15.762 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -3.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 36 Temperature: 1.300000 Total energy: -72.370334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.370334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.370334 (E_RNA) where: Base-Base interactions energy: -23.903 where: short stacking energy: -21.941 Base-Backbone interact. energy: -0.179 local terms energy: -48.288732 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -7.800 flat angles C4'-P-C4' energy: -13.484 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: -3.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 36 Temperature: 1.350000 Total energy: -81.361126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.361126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.361126 (E_RNA) where: Base-Base interactions energy: -33.016 where: short stacking energy: -24.284 Base-Backbone interact. energy: -0.210 local terms energy: -48.135435 where: bonds (distance) C4'-P energy: -13.389 bonds (distance) P-C4' energy: -16.406 flat angles C4'-P-C4' energy: -9.507 flat angles P-C4'-P energy: -9.603 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: 1, replica: 9 ===================================== Write number: 37 Temperature: 0.900000 Total energy: -212.003502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.003502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.003502 (E_RNA) where: Base-Base interactions energy: -139.310 where: short stacking energy: -68.120 Base-Backbone interact. energy: -0.158 local terms energy: -72.535139 where: bonds (distance) C4'-P energy: -15.512 bonds (distance) P-C4' energy: -15.853 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -6.870 tors. eta vs tors. theta energy: -19.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 37 Temperature: 0.950000 Total energy: -192.788084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.788084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.788084 (E_RNA) where: Base-Base interactions energy: -121.626 where: short stacking energy: -55.140 Base-Backbone interact. energy: -0.834 local terms energy: -70.328657 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -14.126 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -11.406 tors. eta vs tors. theta energy: -16.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 37 Temperature: 1.000000 Total energy: -191.176386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.176386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.176386 (E_RNA) where: Base-Base interactions energy: -123.996 where: short stacking energy: -61.402 Base-Backbone interact. energy: -0.079 local terms energy: -67.102009 where: bonds (distance) C4'-P energy: -14.160 bonds (distance) P-C4' energy: -11.607 flat angles C4'-P-C4' energy: -13.120 flat angles P-C4'-P energy: -9.929 tors. eta vs tors. theta energy: -18.287 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: 4, replica: 8 ===================================== Write number: 37 Temperature: 1.050000 Total energy: -145.989576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.989576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.989576 (E_RNA) where: Base-Base interactions energy: -84.524 where: short stacking energy: -37.938 Base-Backbone interact. energy: -0.033 local terms energy: -61.432179 where: bonds (distance) C4'-P energy: -14.209 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -11.288 flat angles P-C4'-P energy: -12.060 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: 5, replica: 1 ===================================== Write number: 37 Temperature: 1.100000 Total energy: -172.166027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.166027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.166027 (E_RNA) where: Base-Base interactions energy: -114.403 where: short stacking energy: -49.364 Base-Backbone interact. energy: -1.187 local terms energy: -56.576339 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -11.130 flat angles C4'-P-C4' energy: -13.352 flat angles P-C4'-P energy: -6.611 tors. eta vs tors. theta energy: -11.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 37 Temperature: 1.150000 Total energy: -165.369550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.369550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.369550 (E_RNA) where: Base-Base interactions energy: -106.377 where: short stacking energy: -43.635 Base-Backbone interact. energy: -0.004 local terms energy: -58.988341 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -8.273 flat angles C4'-P-C4' energy: -11.918 flat angles P-C4'-P energy: -10.376 tors. eta vs tors. theta energy: -14.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 37 Temperature: 1.200000 Total energy: -128.096051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.096051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.096051 (E_RNA) where: Base-Base interactions energy: -74.664 where: short stacking energy: -37.775 Base-Backbone interact. energy: -0.263 local terms energy: -53.168647 where: bonds (distance) C4'-P energy: -9.472 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -8.492 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -11.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 37 Temperature: 1.250000 Total energy: -85.562190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.562190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.562190 (E_RNA) where: Base-Base interactions energy: -37.382 where: short stacking energy: -37.382 Base-Backbone interact. energy: -0.001 local terms energy: -48.179256 where: bonds (distance) C4'-P energy: -11.563 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -10.691 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -11.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 37 Temperature: 1.300000 Total energy: -81.602770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.602770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.602770 (E_RNA) where: Base-Base interactions energy: -35.988 where: short stacking energy: -35.821 Base-Backbone interact. energy: -0.057 local terms energy: -45.558396 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -12.222 flat angles C4'-P-C4' energy: -12.620 flat angles P-C4'-P energy: -5.814 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: 4 ===================================== Write number: 37 Temperature: 1.350000 Total energy: -64.585019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.585019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.585019 (E_RNA) where: Base-Base interactions energy: -27.195 where: short stacking energy: -19.200 Base-Backbone interact. energy: -0.167 local terms energy: -37.222620 where: bonds (distance) C4'-P energy: -7.554 bonds (distance) P-C4' energy: -7.098 flat angles C4'-P-C4' energy: -13.273 flat angles P-C4'-P energy: -9.765 tors. eta vs tors. theta energy: 0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 38 Temperature: 0.900000 Total energy: -199.347742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.347742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.347742 (E_RNA) where: Base-Base interactions energy: -129.612 where: short stacking energy: -51.389 Base-Backbone interact. energy: -0.068 local terms energy: -69.667807 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -11.821 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -19.880 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 38 Temperature: 0.950000 Total energy: -204.362996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.362996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.362996 (E_RNA) where: Base-Base interactions energy: -132.053 where: short stacking energy: -61.908 Base-Backbone interact. energy: -0.092 local terms energy: -72.217589 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -13.535 flat angles C4'-P-C4' energy: -15.268 flat angles P-C4'-P energy: -8.462 tors. eta vs tors. theta energy: -21.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 38 Temperature: 1.000000 Total energy: -172.214903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.214903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.214903 (E_RNA) where: Base-Base interactions energy: -112.429 where: short stacking energy: -63.174 Base-Backbone interact. energy: 0.395 local terms energy: -60.181155 where: bonds (distance) C4'-P energy: -9.666 bonds (distance) P-C4' energy: -10.035 flat angles C4'-P-C4' energy: -15.525 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -15.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 38 Temperature: 1.050000 Total energy: -189.225862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.225862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.225862 (E_RNA) where: Base-Base interactions energy: -120.685 where: short stacking energy: -58.713 Base-Backbone interact. energy: 0.112 local terms energy: -68.653000 where: bonds (distance) C4'-P energy: -13.811 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -15.198 flat angles P-C4'-P energy: -9.604 tors. eta vs tors. theta energy: -15.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 38 Temperature: 1.100000 Total energy: -168.212960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.212960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.212960 (E_RNA) where: Base-Base interactions energy: -116.463 where: short stacking energy: -56.839 Base-Backbone interact. energy: -1.117 local terms energy: -50.632617 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -9.332 flat angles P-C4'-P energy: -3.219 tors. eta vs tors. theta energy: -11.913 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: 1 ===================================== Write number: 38 Temperature: 1.150000 Total energy: -162.529915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.529915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.529915 (E_RNA) where: Base-Base interactions energy: -106.126 where: short stacking energy: -50.531 Base-Backbone interact. energy: -0.012 local terms energy: -56.392444 where: bonds (distance) C4'-P energy: -10.156 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -12.139 flat angles P-C4'-P energy: -8.465 tors. eta vs tors. theta energy: -10.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 38 Temperature: 1.200000 Total energy: -162.496938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.496938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.496938 (E_RNA) where: Base-Base interactions energy: -104.428 where: short stacking energy: -49.613 Base-Backbone interact. energy: -0.061 local terms energy: -58.008191 where: bonds (distance) C4'-P energy: -10.326 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -11.937 flat angles P-C4'-P energy: -4.477 tors. eta vs tors. theta energy: -16.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 38 Temperature: 1.250000 Total energy: -91.164302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.164302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.164302 (E_RNA) where: Base-Base interactions energy: -39.541 where: short stacking energy: -39.541 Base-Backbone interact. energy: 0.382 local terms energy: -52.005345 where: bonds (distance) C4'-P energy: -9.249 bonds (distance) P-C4' energy: -13.259 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -7.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 38 Temperature: 1.300000 Total energy: -73.961880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.961880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.961880 (E_RNA) where: Base-Base interactions energy: -26.335 where: short stacking energy: -26.335 Base-Backbone interact. energy: -0.011 local terms energy: -47.615579 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -14.882 flat angles C4'-P-C4' energy: -14.370 flat angles P-C4'-P energy: -2.665 tors. eta vs tors. theta energy: -3.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 38 Temperature: 1.350000 Total energy: -84.948397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.948397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.948397 (E_RNA) where: Base-Base interactions energy: -29.661 where: short stacking energy: -29.661 Base-Backbone interact. energy: 0.113 local terms energy: -55.400032 where: bonds (distance) C4'-P energy: -14.708 bonds (distance) P-C4' energy: -13.101 flat angles C4'-P-C4' energy: -13.757 flat angles P-C4'-P energy: -6.955 tors. eta vs tors. theta energy: -6.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 39 Temperature: 0.900000 Total energy: -198.717055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.717055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.717055 (E_RNA) where: Base-Base interactions energy: -129.536 where: short stacking energy: -61.190 Base-Backbone interact. energy: -0.001 local terms energy: -69.180039 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -7.697 tors. eta vs tors. theta energy: -18.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 39 Temperature: 0.950000 Total energy: -200.941876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.941876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.941876 (E_RNA) where: Base-Base interactions energy: -134.224 where: short stacking energy: -57.231 Base-Backbone interact. energy: -0.081 local terms energy: -66.637149 where: bonds (distance) C4'-P energy: -13.376 bonds (distance) P-C4' energy: -8.967 flat angles C4'-P-C4' energy: -15.059 flat angles P-C4'-P energy: -10.835 tors. eta vs tors. theta energy: -18.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 39 Temperature: 1.000000 Total energy: -158.483456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.483456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.483456 (E_RNA) where: Base-Base interactions energy: -89.457 where: short stacking energy: -49.085 Base-Backbone interact. energy: -0.283 local terms energy: -68.743389 where: bonds (distance) C4'-P energy: -16.299 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -11.459 flat angles P-C4'-P energy: -12.770 tors. eta vs tors. theta energy: -14.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 39 Temperature: 1.050000 Total energy: -182.097356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.097356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.097356 (E_RNA) where: Base-Base interactions energy: -117.389 where: short stacking energy: -56.301 Base-Backbone interact. energy: -0.008 local terms energy: -64.700422 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -8.983 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -10.881 tors. eta vs tors. theta energy: -19.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 39 Temperature: 1.100000 Total energy: -183.935213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.935213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.935213 (E_RNA) where: Base-Base interactions energy: -125.697 where: short stacking energy: -62.651 Base-Backbone interact. energy: 1.405 local terms energy: -59.643339 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -11.934 flat angles C4'-P-C4' energy: -10.606 flat angles P-C4'-P energy: -10.306 tors. eta vs tors. theta energy: -14.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 39 Temperature: 1.150000 Total energy: -180.111840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.111840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.111840 (E_RNA) where: Base-Base interactions energy: -120.521 where: short stacking energy: -53.489 Base-Backbone interact. energy: -0.101 local terms energy: -59.489441 where: bonds (distance) C4'-P energy: -12.275 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -13.199 flat angles P-C4'-P energy: -6.842 tors. eta vs tors. theta energy: -14.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 39 Temperature: 1.200000 Total energy: -166.776195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.776195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.776195 (E_RNA) where: Base-Base interactions energy: -107.283 where: short stacking energy: -47.750 Base-Backbone interact. energy: -0.033 local terms energy: -59.460065 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -10.573 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -9.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 39 Temperature: 1.250000 Total energy: -90.882486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.882486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.882486 (E_RNA) where: Base-Base interactions energy: -41.538 where: short stacking energy: -35.533 Base-Backbone interact. energy: -0.834 local terms energy: -48.510154 where: bonds (distance) C4'-P energy: -12.873 bonds (distance) P-C4' energy: -11.322 flat angles C4'-P-C4' energy: -13.730 flat angles P-C4'-P energy: -5.540 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: 9, replica: 7 ===================================== Write number: 39 Temperature: 1.300000 Total energy: -75.121408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.121408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.121408 (E_RNA) where: Base-Base interactions energy: -40.171 where: short stacking energy: -27.746 Base-Backbone interact. energy: -0.048 local terms energy: -34.901974 where: bonds (distance) C4'-P energy: -12.660 bonds (distance) P-C4' energy: -6.856 flat angles C4'-P-C4' energy: -11.512 flat angles P-C4'-P energy: -4.939 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: 5 ===================================== Write number: 39 Temperature: 1.350000 Total energy: -66.918831 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.918831 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.918831 (E_RNA) where: Base-Base interactions energy: -21.920 where: short stacking energy: -21.920 Base-Backbone interact. energy: -0.034 local terms energy: -44.964192 where: bonds (distance) C4'-P energy: -10.202 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -9.516 flat angles P-C4'-P energy: -7.568 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: 9 ===================================== Write number: 40 Temperature: 0.900000 Total energy: -213.540821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.540821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.540821 (E_RNA) where: Base-Base interactions energy: -141.955 where: short stacking energy: -64.674 Base-Backbone interact. energy: -0.196 local terms energy: -71.390389 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -15.660 flat angles P-C4'-P energy: -10.955 tors. eta vs tors. theta energy: -18.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 40 Temperature: 0.950000 Total energy: -177.434878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.434878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.434878 (E_RNA) where: Base-Base interactions energy: -112.109 where: short stacking energy: -54.190 Base-Backbone interact. energy: -0.108 local terms energy: -65.218329 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -12.324 flat angles P-C4'-P energy: -7.781 tors. eta vs tors. theta energy: -15.687 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: 3 ===================================== Write number: 40 Temperature: 1.000000 Total energy: -185.518733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.518733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.518733 (E_RNA) where: Base-Base interactions energy: -120.626 where: short stacking energy: -55.678 Base-Backbone interact. energy: -0.018 local terms energy: -64.874926 where: bonds (distance) C4'-P energy: -12.407 bonds (distance) P-C4' energy: -12.718 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -9.772 tors. eta vs tors. theta energy: -16.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 40 Temperature: 1.050000 Total energy: -166.545260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.545260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.545260 (E_RNA) where: Base-Base interactions energy: -104.763 where: short stacking energy: -47.920 Base-Backbone interact. energy: -0.000 local terms energy: -61.781792 where: bonds (distance) C4'-P energy: -12.438 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -13.374 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -13.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 40 Temperature: 1.100000 Total energy: -179.062404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.062404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.062404 (E_RNA) where: Base-Base interactions energy: -117.293 where: short stacking energy: -51.294 Base-Backbone interact. energy: -0.504 local terms energy: -61.265599 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -16.422 flat angles C4'-P-C4' energy: -13.397 flat angles P-C4'-P energy: -6.481 tors. eta vs tors. theta energy: -12.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 40 Temperature: 1.150000 Total energy: -165.532564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.532564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.532564 (E_RNA) where: Base-Base interactions energy: -107.361 where: short stacking energy: -45.624 Base-Backbone interact. energy: -0.397 local terms energy: -57.775010 where: bonds (distance) C4'-P energy: -13.628 bonds (distance) P-C4' energy: -12.158 flat angles C4'-P-C4' energy: -15.331 flat angles P-C4'-P energy: -7.037 tors. eta vs tors. theta energy: -9.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 40 Temperature: 1.200000 Total energy: -162.591976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.591976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.591976 (E_RNA) where: Base-Base interactions energy: -98.936 where: short stacking energy: -44.495 Base-Backbone interact. energy: -0.693 local terms energy: -62.963118 where: bonds (distance) C4'-P energy: -13.247 bonds (distance) P-C4' energy: -14.296 flat angles C4'-P-C4' energy: -14.162 flat angles P-C4'-P energy: -10.156 tors. eta vs tors. theta energy: -11.102 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: 4 ===================================== Write number: 40 Temperature: 1.250000 Total energy: -91.489333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.489333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.489333 (E_RNA) where: Base-Base interactions energy: -37.858 where: short stacking energy: -36.426 Base-Backbone interact. energy: -0.006 local terms energy: -53.625107 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -13.704 flat angles P-C4'-P energy: -5.282 tors. eta vs tors. theta energy: -7.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 40 Temperature: 1.300000 Total energy: -74.924208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.924208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.924208 (E_RNA) where: Base-Base interactions energy: -27.837 where: short stacking energy: -27.837 Base-Backbone interact. energy: -0.058 local terms energy: -47.029180 where: bonds (distance) C4'-P energy: -11.873 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -12.966 flat angles P-C4'-P energy: -3.832 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: 10, replica: 7 ===================================== Write number: 40 Temperature: 1.350000 Total energy: -76.039340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.039340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.039340 (E_RNA) where: Base-Base interactions energy: -26.028 where: short stacking energy: -24.344 Base-Backbone interact. energy: -0.146 local terms energy: -49.866188 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -10.101 flat angles C4'-P-C4' energy: -9.623 flat angles P-C4'-P energy: -12.432 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: 1, replica: 9 ===================================== Write number: 41 Temperature: 0.900000 Total energy: -210.507683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.507683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.507683 (E_RNA) where: Base-Base interactions energy: -140.449 where: short stacking energy: -64.124 Base-Backbone interact. energy: -0.001 local terms energy: -70.057293 where: bonds (distance) C4'-P energy: -13.126 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -13.095 flat angles P-C4'-P energy: -10.780 tors. eta vs tors. theta energy: -18.832 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: 3 ===================================== Write number: 41 Temperature: 0.950000 Total energy: -188.211056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.211056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.211056 (E_RNA) where: Base-Base interactions energy: -124.171 where: short stacking energy: -64.559 Base-Backbone interact. energy: -0.013 local terms energy: -64.026747 where: bonds (distance) C4'-P energy: -13.530 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -14.120 flat angles P-C4'-P energy: -7.057 tors. eta vs tors. theta energy: -14.875 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: 41 Temperature: 1.000000 Total energy: -191.078620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.078620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.078620 (E_RNA) where: Base-Base interactions energy: -124.758 where: short stacking energy: -59.990 Base-Backbone interact. energy: -0.894 local terms energy: -65.425963 where: bonds (distance) C4'-P energy: -12.384 bonds (distance) P-C4' energy: -15.212 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -17.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 41 Temperature: 1.050000 Total energy: -183.745494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.745494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.745494 (E_RNA) where: Base-Base interactions energy: -120.107 where: short stacking energy: -50.511 Base-Backbone interact. energy: -0.126 local terms energy: -63.512665 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -13.973 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -10.100 tors. eta vs tors. theta energy: -11.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 41 Temperature: 1.100000 Total energy: -167.182840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.182840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.182840 (E_RNA) where: Base-Base interactions energy: -109.553 where: short stacking energy: -56.659 Base-Backbone interact. energy: -0.723 local terms energy: -56.907388 where: bonds (distance) C4'-P energy: -7.878 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -11.505 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -14.628 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: 1 ===================================== Write number: 41 Temperature: 1.150000 Total energy: -170.764627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.764627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.764627 (E_RNA) where: Base-Base interactions energy: -109.756 where: short stacking energy: -53.010 Base-Backbone interact. energy: -0.059 local terms energy: -60.950058 where: bonds (distance) C4'-P energy: -14.887 bonds (distance) P-C4' energy: -14.279 flat angles C4'-P-C4' energy: -10.648 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -13.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 41 Temperature: 1.200000 Total energy: -149.482434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.482434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.482434 (E_RNA) where: Base-Base interactions energy: -103.550 where: short stacking energy: -48.533 Base-Backbone interact. energy: -0.655 local terms energy: -45.277868 where: bonds (distance) C4'-P energy: -5.229 bonds (distance) P-C4' energy: -9.780 flat angles C4'-P-C4' energy: -10.100 flat angles P-C4'-P energy: -6.901 tors. eta vs tors. theta energy: -13.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 41 Temperature: 1.250000 Total energy: -83.716937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.716937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.716937 (E_RNA) where: Base-Base interactions energy: -32.833 where: short stacking energy: -32.833 Base-Backbone interact. energy: -0.095 local terms energy: -50.788767 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -13.051 flat angles P-C4'-P energy: -8.005 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: 9, replica: 5 ===================================== Write number: 41 Temperature: 1.300000 Total energy: -85.766164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.766164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.766164 (E_RNA) where: Base-Base interactions energy: -32.105 where: short stacking energy: -32.105 Base-Backbone interact. energy: -0.012 local terms energy: -53.649100 where: bonds (distance) C4'-P energy: -11.811 bonds (distance) P-C4' energy: -10.006 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -11.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 41 Temperature: 1.350000 Total energy: -78.988059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.988059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.988059 (E_RNA) where: Base-Base interactions energy: -32.711 where: short stacking energy: -24.028 Base-Backbone interact. energy: -0.174 local terms energy: -46.102538 where: bonds (distance) C4'-P energy: -13.695 bonds (distance) P-C4' energy: -14.354 flat angles C4'-P-C4' energy: -12.629 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: 4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 42 Temperature: 0.900000 Total energy: -217.465059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.465059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.465059 (E_RNA) where: Base-Base interactions energy: -137.936 where: short stacking energy: -69.280 Base-Backbone interact. energy: -0.232 local terms energy: -79.297385 where: bonds (distance) C4'-P energy: -15.661 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -16.786 flat angles P-C4'-P energy: -12.988 tors. eta vs tors. theta energy: -18.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 42 Temperature: 0.950000 Total energy: -197.539823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.539823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.539823 (E_RNA) where: Base-Base interactions energy: -124.529 where: short stacking energy: -60.409 Base-Backbone interact. energy: -0.726 local terms energy: -72.285128 where: bonds (distance) C4'-P energy: -14.429 bonds (distance) P-C4' energy: -16.356 flat angles C4'-P-C4' energy: -14.883 flat angles P-C4'-P energy: -8.030 tors. eta vs tors. theta energy: -18.587 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: 2 ===================================== Write number: 42 Temperature: 1.000000 Total energy: -191.191510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.191510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.191510 (E_RNA) where: Base-Base interactions energy: -118.026 where: short stacking energy: -58.036 Base-Backbone interact. energy: -1.189 local terms energy: -71.976867 where: bonds (distance) C4'-P energy: -12.933 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -14.976 flat angles P-C4'-P energy: -12.259 tors. eta vs tors. theta energy: -17.071 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: 42 Temperature: 1.050000 Total energy: -179.572073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.572073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.572073 (E_RNA) where: Base-Base interactions energy: -109.630 where: short stacking energy: -51.030 Base-Backbone interact. energy: -0.104 local terms energy: -69.838587 where: bonds (distance) C4'-P energy: -14.959 bonds (distance) P-C4' energy: -13.650 flat angles C4'-P-C4' energy: -16.751 flat angles P-C4'-P energy: -11.637 tors. eta vs tors. theta energy: -12.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 42 Temperature: 1.100000 Total energy: -171.851067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.851067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.851067 (E_RNA) where: Base-Base interactions energy: -109.268 where: short stacking energy: -54.918 Base-Backbone interact. energy: -0.041 local terms energy: -62.542577 where: bonds (distance) C4'-P energy: -14.400 bonds (distance) P-C4' energy: -9.931 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -12.135 tors. eta vs tors. theta energy: -11.723 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: 8 ===================================== Write number: 42 Temperature: 1.150000 Total energy: -159.634617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.634617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.634617 (E_RNA) where: Base-Base interactions energy: -104.852 where: short stacking energy: -54.130 Base-Backbone interact. energy: -0.078 local terms energy: -54.705071 where: bonds (distance) C4'-P energy: -7.469 bonds (distance) P-C4' energy: -13.075 flat angles C4'-P-C4' energy: -11.979 flat angles P-C4'-P energy: -5.187 tors. eta vs tors. theta energy: -16.996 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: 10 ===================================== Write number: 42 Temperature: 1.200000 Total energy: -163.229594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.229594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.229594 (E_RNA) where: Base-Base interactions energy: -109.494 where: short stacking energy: -46.288 Base-Backbone interact. energy: -0.603 local terms energy: -53.132695 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -12.168 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -7.468 tors. eta vs tors. theta energy: -8.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 42 Temperature: 1.250000 Total energy: -80.559733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.559733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.559733 (E_RNA) where: Base-Base interactions energy: -35.056 where: short stacking energy: -29.425 Base-Backbone interact. energy: -0.050 local terms energy: -45.453944 where: bonds (distance) C4'-P energy: -9.944 bonds (distance) P-C4' energy: -13.473 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -5.304 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: 7 ===================================== Write number: 42 Temperature: 1.300000 Total energy: -84.616481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.616481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.616481 (E_RNA) where: Base-Base interactions energy: -33.671 where: short stacking energy: -26.965 Base-Backbone interact. energy: -0.022 local terms energy: -50.923205 where: bonds (distance) C4'-P energy: -9.883 bonds (distance) P-C4' energy: -14.304 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -8.211 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: 10, replica: 5 ===================================== Write number: 42 Temperature: 1.350000 Total energy: -78.032966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.032966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.032966 (E_RNA) where: Base-Base interactions energy: -25.783 where: short stacking energy: -25.776 Base-Backbone interact. energy: -0.045 local terms energy: -52.204659 where: bonds (distance) C4'-P energy: -12.638 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -9.837 flat angles P-C4'-P energy: -7.925 tors. eta vs tors. theta energy: -6.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 43 Temperature: 0.900000 Total energy: -218.459962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.459962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.459962 (E_RNA) where: Base-Base interactions energy: -142.575 where: short stacking energy: -66.355 Base-Backbone interact. energy: -0.106 local terms energy: -75.778887 where: bonds (distance) C4'-P energy: -15.232 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -15.373 flat angles P-C4'-P energy: -13.295 tors. eta vs tors. theta energy: -17.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 43 Temperature: 0.950000 Total energy: -191.679217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.679217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.679217 (E_RNA) where: Base-Base interactions energy: -122.904 where: short stacking energy: -61.447 Base-Backbone interact. energy: -0.082 local terms energy: -68.693162 where: bonds (distance) C4'-P energy: -13.006 bonds (distance) P-C4' energy: -14.834 flat angles C4'-P-C4' energy: -15.121 flat angles P-C4'-P energy: -8.311 tors. eta vs tors. theta energy: -17.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 43 Temperature: 1.000000 Total energy: -192.688636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.688636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.688636 (E_RNA) where: Base-Base interactions energy: -126.850 where: short stacking energy: -59.795 Base-Backbone interact. energy: 0.288 local terms energy: -66.126637 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -13.958 flat angles P-C4'-P energy: -7.638 tors. eta vs tors. theta energy: -16.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 43 Temperature: 1.050000 Total energy: -178.146244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.146244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.146244 (E_RNA) where: Base-Base interactions energy: -122.539 where: short stacking energy: -52.954 Base-Backbone interact. energy: -0.040 local terms energy: -55.567302 where: bonds (distance) C4'-P energy: -13.237 bonds (distance) P-C4' energy: -12.613 flat angles C4'-P-C4' energy: -8.155 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -15.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 43 Temperature: 1.100000 Total energy: -180.346467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.346467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.346467 (E_RNA) where: Base-Base interactions energy: -116.128 where: short stacking energy: -58.076 Base-Backbone interact. energy: 1.507 local terms energy: -65.725203 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -15.001 flat angles P-C4'-P energy: -7.427 tors. eta vs tors. theta energy: -15.822 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: 6, replica: 10 ===================================== Write number: 43 Temperature: 1.150000 Total energy: -160.412769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.412769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.412769 (E_RNA) where: Base-Base interactions energy: -98.775 where: short stacking energy: -48.399 Base-Backbone interact. energy: -0.001 local terms energy: -61.636724 where: bonds (distance) C4'-P energy: -11.970 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -13.270 flat angles P-C4'-P energy: -10.028 tors. eta vs tors. theta energy: -11.287 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: 8 ===================================== Write number: 43 Temperature: 1.200000 Total energy: -158.567394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.567394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.567394 (E_RNA) where: Base-Base interactions energy: -91.019 where: short stacking energy: -43.488 Base-Backbone interact. energy: -0.080 local terms energy: -67.468165 where: bonds (distance) C4'-P energy: -15.847 bonds (distance) P-C4' energy: -15.306 flat angles C4'-P-C4' energy: -11.645 flat angles P-C4'-P energy: -10.528 tors. eta vs tors. theta energy: -14.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 43 Temperature: 1.250000 Total energy: -79.804725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.804725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.804725 (E_RNA) where: Base-Base interactions energy: -36.356 where: short stacking energy: -35.383 Base-Backbone interact. energy: -0.033 local terms energy: -43.415864 where: bonds (distance) C4'-P energy: -10.262 bonds (distance) P-C4' energy: -11.883 flat angles C4'-P-C4' energy: -10.132 flat angles P-C4'-P energy: -7.262 tors. eta vs tors. theta energy: -3.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 43 Temperature: 1.300000 Total energy: -74.189545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.189545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.189545 (E_RNA) where: Base-Base interactions energy: -26.345 where: short stacking energy: -26.345 Base-Backbone interact. energy: -0.003 local terms energy: -47.841956 where: bonds (distance) C4'-P energy: -12.519 bonds (distance) P-C4' energy: -11.475 flat angles C4'-P-C4' energy: -13.231 flat angles P-C4'-P energy: -8.555 tors. eta vs tors. theta energy: -2.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 43 Temperature: 1.350000 Total energy: -74.534625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.534625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.534625 (E_RNA) where: Base-Base interactions energy: -27.394 where: short stacking energy: -22.687 Base-Backbone interact. energy: -0.854 local terms energy: -46.286847 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -6.893 flat angles P-C4'-P energy: -8.620 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: 1, replica: 3 ===================================== Write number: 44 Temperature: 0.900000 Total energy: -187.903707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.903707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.903707 (E_RNA) where: Base-Base interactions energy: -119.864 where: short stacking energy: -53.217 Base-Backbone interact. energy: -0.012 local terms energy: -68.028166 where: bonds (distance) C4'-P energy: -11.124 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -16.815 flat angles P-C4'-P energy: -10.771 tors. eta vs tors. theta energy: -12.904 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: 9 ===================================== Write number: 44 Temperature: 0.950000 Total energy: -210.502216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.502216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.502216 (E_RNA) where: Base-Base interactions energy: -140.563 where: short stacking energy: -68.515 Base-Backbone interact. energy: -0.239 local terms energy: -69.700109 where: bonds (distance) C4'-P energy: -8.843 bonds (distance) P-C4' energy: -15.217 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -20.774 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: 1 ===================================== Write number: 44 Temperature: 1.000000 Total energy: -191.860181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.860181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.860181 (E_RNA) where: Base-Base interactions energy: -124.915 where: short stacking energy: -54.106 Base-Backbone interact. energy: -0.622 local terms energy: -66.323433 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -12.389 flat angles C4'-P-C4' energy: -15.328 flat angles P-C4'-P energy: -10.545 tors. eta vs tors. theta energy: -15.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 44 Temperature: 1.050000 Total energy: -178.955324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.955324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.955324 (E_RNA) where: Base-Base interactions energy: -116.424 where: short stacking energy: -61.647 Base-Backbone interact. energy: -0.013 local terms energy: -62.518444 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -8.511 flat angles P-C4'-P energy: -11.189 tors. eta vs tors. theta energy: -12.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 44 Temperature: 1.100000 Total energy: -163.301864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.301864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.301864 (E_RNA) where: Base-Base interactions energy: -100.785 where: short stacking energy: -48.350 Base-Backbone interact. energy: -0.001 local terms energy: -62.515877 where: bonds (distance) C4'-P energy: -13.911 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -12.183 flat angles P-C4'-P energy: -6.892 tors. eta vs tors. theta energy: -15.400 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: 6 ===================================== Write number: 44 Temperature: 1.150000 Total energy: -169.003083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.003083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.003083 (E_RNA) where: Base-Base interactions energy: -114.651 where: short stacking energy: -52.788 Base-Backbone interact. energy: 0.208 local terms energy: -54.560192 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -10.020 flat angles P-C4'-P energy: -1.675 tors. eta vs tors. theta energy: -14.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 44 Temperature: 1.200000 Total energy: -149.131832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.131832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.131832 (E_RNA) where: Base-Base interactions energy: -98.999 where: short stacking energy: -50.309 Base-Backbone interact. energy: -0.443 local terms energy: -49.690021 where: bonds (distance) C4'-P energy: -7.655 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -13.452 flat angles P-C4'-P energy: -7.555 tors. eta vs tors. theta energy: -8.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 44 Temperature: 1.250000 Total energy: -78.307309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.307309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.307309 (E_RNA) where: Base-Base interactions energy: -25.160 where: short stacking energy: -25.160 Base-Backbone interact. energy: -0.083 local terms energy: -53.064070 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -6.332 flat angles P-C4'-P energy: -12.417 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: 9, replica: 5 ===================================== Write number: 44 Temperature: 1.300000 Total energy: -73.694344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.694344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.694344 (E_RNA) where: Base-Base interactions energy: -28.494 where: short stacking energy: -28.494 Base-Backbone interact. energy: -0.357 local terms energy: -44.843564 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -14.472 flat angles C4'-P-C4' energy: -8.367 flat angles P-C4'-P energy: -8.078 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: 10, replica: 7 ===================================== Write number: 44 Temperature: 1.350000 Total energy: -82.664160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.664160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.664160 (E_RNA) where: Base-Base interactions energy: -33.079 where: short stacking energy: -33.796 Base-Backbone interact. energy: -0.092 local terms energy: -49.493832 where: bonds (distance) C4'-P energy: -10.740 bonds (distance) P-C4' energy: -15.569 flat angles C4'-P-C4' energy: -11.966 flat angles P-C4'-P energy: -7.918 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: 1, replica: 3 ===================================== Write number: 45 Temperature: 0.900000 Total energy: -196.884533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.884533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.884533 (E_RNA) where: Base-Base interactions energy: -128.076 where: short stacking energy: -50.988 Base-Backbone interact. energy: -0.163 local terms energy: -68.645536 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -15.893 flat angles C4'-P-C4' energy: -12.700 flat angles P-C4'-P energy: -12.372 tors. eta vs tors. theta energy: -12.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 45 Temperature: 0.950000 Total energy: -201.722391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.722391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.722391 (E_RNA) where: Base-Base interactions energy: -135.598 where: short stacking energy: -59.087 Base-Backbone interact. energy: -0.099 local terms energy: -66.025066 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -13.865 flat angles P-C4'-P energy: -9.601 tors. eta vs tors. theta energy: -15.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 45 Temperature: 1.000000 Total energy: -175.446817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.446817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.446817 (E_RNA) where: Base-Base interactions energy: -108.889 where: short stacking energy: -53.118 Base-Backbone interact. energy: -0.317 local terms energy: -66.241306 where: bonds (distance) C4'-P energy: -12.525 bonds (distance) P-C4' energy: -13.771 flat angles C4'-P-C4' energy: -15.126 flat angles P-C4'-P energy: -11.214 tors. eta vs tors. theta energy: -13.604 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: 4, replica: 2 ===================================== Write number: 45 Temperature: 1.050000 Total energy: -180.931906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.931906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.931906 (E_RNA) where: Base-Base interactions energy: -120.701 where: short stacking energy: -57.375 Base-Backbone interact. energy: 1.000 local terms energy: -61.230776 where: bonds (distance) C4'-P energy: -13.989 bonds (distance) P-C4' energy: -14.794 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -5.781 tors. eta vs tors. theta energy: -13.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 45 Temperature: 1.100000 Total energy: -175.582020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.582020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.582020 (E_RNA) where: Base-Base interactions energy: -120.765 where: short stacking energy: -58.298 Base-Backbone interact. energy: -0.017 local terms energy: -54.799860 where: bonds (distance) C4'-P energy: -8.554 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -11.608 flat angles P-C4'-P energy: -6.507 tors. eta vs tors. theta energy: -15.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 45 Temperature: 1.150000 Total energy: -171.735239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.735239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.735239 (E_RNA) where: Base-Base interactions energy: -107.978 where: short stacking energy: -56.998 Base-Backbone interact. energy: -0.355 local terms energy: -63.401487 where: bonds (distance) C4'-P energy: -10.627 bonds (distance) P-C4' energy: -12.647 flat angles C4'-P-C4' energy: -15.011 flat angles P-C4'-P energy: -11.414 tors. eta vs tors. theta energy: -13.703 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: 6 ===================================== Write number: 45 Temperature: 1.200000 Total energy: -166.790374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.790374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.790374 (E_RNA) where: Base-Base interactions energy: -109.135 where: short stacking energy: -52.210 Base-Backbone interact. energy: -0.151 local terms energy: -57.504420 where: bonds (distance) C4'-P energy: -11.670 bonds (distance) P-C4' energy: -12.428 flat angles C4'-P-C4' energy: -10.620 flat angles P-C4'-P energy: -7.077 tors. eta vs tors. theta energy: -15.708 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: 4 ===================================== Write number: 45 Temperature: 1.250000 Total energy: -79.900073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.900073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.900073 (E_RNA) where: Base-Base interactions energy: -30.683 where: short stacking energy: -30.683 Base-Backbone interact. energy: -0.012 local terms energy: -49.205237 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -11.962 flat angles C4'-P-C4' energy: -11.786 flat angles P-C4'-P energy: -7.624 tors. eta vs tors. theta energy: -6.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 45 Temperature: 1.300000 Total energy: -81.259266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.259266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.259266 (E_RNA) where: Base-Base interactions energy: -34.027 where: short stacking energy: -31.692 Base-Backbone interact. energy: -0.303 local terms energy: -46.929469 where: bonds (distance) C4'-P energy: -11.179 bonds (distance) P-C4' energy: -12.085 flat angles C4'-P-C4' energy: -10.065 flat angles P-C4'-P energy: -8.751 tors. eta vs tors. theta energy: -4.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 45 Temperature: 1.350000 Total energy: -70.261634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.261634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.261634 (E_RNA) where: Base-Base interactions energy: -29.458 where: short stacking energy: -22.793 Base-Backbone interact. energy: -0.055 local terms energy: -40.748545 where: bonds (distance) C4'-P energy: -8.964 bonds (distance) P-C4' energy: -15.137 flat angles C4'-P-C4' energy: -9.031 flat angles P-C4'-P energy: -8.911 tors. eta vs tors. theta energy: 1.294 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 46 Temperature: 0.900000 Total energy: -203.781992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.781992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.781992 (E_RNA) where: Base-Base interactions energy: -131.522 where: short stacking energy: -60.131 Base-Backbone interact. energy: -0.029 local terms energy: -72.231318 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -16.022 flat angles P-C4'-P energy: -10.657 tors. eta vs tors. theta energy: -17.024 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: 46 Temperature: 0.950000 Total energy: -189.759674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.759674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.759674 (E_RNA) where: Base-Base interactions energy: -125.018 where: short stacking energy: -65.819 Base-Backbone interact. energy: -0.017 local terms energy: -64.724890 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -7.312 tors. eta vs tors. theta energy: -17.925 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: 1 ===================================== Write number: 46 Temperature: 1.000000 Total energy: -170.282570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.282570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.282570 (E_RNA) where: Base-Base interactions energy: -106.050 where: short stacking energy: -48.127 Base-Backbone interact. energy: -0.303 local terms energy: -63.929178 where: bonds (distance) C4'-P energy: -11.435 bonds (distance) P-C4' energy: -16.693 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -9.061 tors. eta vs tors. theta energy: -12.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 46 Temperature: 1.050000 Total energy: -177.595820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.595820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.595820 (E_RNA) where: Base-Base interactions energy: -114.222 where: short stacking energy: -52.657 Base-Backbone interact. energy: -0.002 local terms energy: -63.371706 where: bonds (distance) C4'-P energy: -14.615 bonds (distance) P-C4' energy: -13.840 flat angles C4'-P-C4' energy: -10.615 flat angles P-C4'-P energy: -10.426 tors. eta vs tors. theta energy: -13.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 46 Temperature: 1.100000 Total energy: -166.892998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.892998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.892998 (E_RNA) where: Base-Base interactions energy: -101.190 where: short stacking energy: -48.809 Base-Backbone interact. energy: -0.725 local terms energy: -64.978142 where: bonds (distance) C4'-P energy: -12.206 bonds (distance) P-C4' energy: -14.358 flat angles C4'-P-C4' energy: -14.177 flat angles P-C4'-P energy: -11.855 tors. eta vs tors. theta energy: -12.382 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: 6, replica: 10 ===================================== Write number: 46 Temperature: 1.150000 Total energy: -163.683642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.683642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.683642 (E_RNA) where: Base-Base interactions energy: -103.798 where: short stacking energy: -42.876 Base-Backbone interact. energy: -0.512 local terms energy: -59.373506 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -12.742 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -11.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 46 Temperature: 1.200000 Total energy: -158.201052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.201052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.201052 (E_RNA) where: Base-Base interactions energy: -103.264 where: short stacking energy: -45.032 Base-Backbone interact. energy: -0.229 local terms energy: -54.708592 where: bonds (distance) C4'-P energy: -13.575 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -13.974 flat angles P-C4'-P energy: -3.561 tors. eta vs tors. theta energy: -10.000 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: 8, replica: 4 ===================================== Write number: 46 Temperature: 1.250000 Total energy: -77.603433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.603433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.603433 (E_RNA) where: Base-Base interactions energy: -44.254 where: short stacking energy: -44.254 Base-Backbone interact. energy: -0.080 local terms energy: -33.268518 where: bonds (distance) C4'-P energy: -11.357 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -3.436 flat angles P-C4'-P energy: 0.148 tors. eta vs tors. theta energy: -5.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 46 Temperature: 1.300000 Total energy: -75.065223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.065223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.065223 (E_RNA) where: Base-Base interactions energy: -38.095 where: short stacking energy: -30.372 Base-Backbone interact. energy: 0.140 local terms energy: -37.109521 where: bonds (distance) C4'-P energy: -9.202 bonds (distance) P-C4' energy: -9.693 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -7.590 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: 10, replica: 7 ===================================== Write number: 46 Temperature: 1.350000 Total energy: -72.541199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.541199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.541199 (E_RNA) where: Base-Base interactions energy: -30.838 where: short stacking energy: -30.838 Base-Backbone interact. energy: -0.042 local terms energy: -41.660311 where: bonds (distance) C4'-P energy: -10.769 bonds (distance) P-C4' energy: -12.418 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -5.403 tors. eta vs tors. theta energy: -1.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 47 Temperature: 0.900000 Total energy: -210.317360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.317360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.317360 (E_RNA) where: Base-Base interactions energy: -139.091 where: short stacking energy: -59.904 Base-Backbone interact. energy: -0.012 local terms energy: -71.214065 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -15.413 flat angles P-C4'-P energy: -11.581 tors. eta vs tors. theta energy: -14.396 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: 3 ===================================== Write number: 47 Temperature: 0.950000 Total energy: -196.702475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.702475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.702475 (E_RNA) where: Base-Base interactions energy: -124.411 where: short stacking energy: -55.134 Base-Backbone interact. energy: -0.129 local terms energy: -72.163181 where: bonds (distance) C4'-P energy: -15.679 bonds (distance) P-C4' energy: -12.488 flat angles C4'-P-C4' energy: -14.247 flat angles P-C4'-P energy: -12.831 tors. eta vs tors. theta energy: -16.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 47 Temperature: 1.000000 Total energy: -186.741225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.741225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.741225 (E_RNA) where: Base-Base interactions energy: -119.800 where: short stacking energy: -65.037 Base-Backbone interact. energy: -0.001 local terms energy: -66.940758 where: bonds (distance) C4'-P energy: -11.158 bonds (distance) P-C4' energy: -15.659 flat angles C4'-P-C4' energy: -13.737 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -16.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 47 Temperature: 1.050000 Total energy: -175.024301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.024301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.024301 (E_RNA) where: Base-Base interactions energy: -107.641 where: short stacking energy: -55.025 Base-Backbone interact. energy: 0.603 local terms energy: -67.985644 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -13.539 flat angles C4'-P-C4' energy: -15.531 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -16.059 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: 8 ===================================== Write number: 47 Temperature: 1.100000 Total energy: -153.252716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.252716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.252716 (E_RNA) where: Base-Base interactions energy: -98.223 where: short stacking energy: -42.551 Base-Backbone interact. energy: -1.227 local terms energy: -53.802834 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -9.695 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -11.801 tors. eta vs tors. theta energy: -6.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 47 Temperature: 1.150000 Total energy: -162.660695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.660695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.660695 (E_RNA) where: Base-Base interactions energy: -101.497 where: short stacking energy: -44.694 Base-Backbone interact. energy: -1.045 local terms energy: -60.118810 where: bonds (distance) C4'-P energy: -16.183 bonds (distance) P-C4' energy: -14.139 flat angles C4'-P-C4' energy: -8.103 flat angles P-C4'-P energy: -10.112 tors. eta vs tors. theta energy: -11.582 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: 10 ===================================== Write number: 47 Temperature: 1.200000 Total energy: -161.521475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.521475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.521475 (E_RNA) where: Base-Base interactions energy: -108.623 where: short stacking energy: -44.926 Base-Backbone interact. energy: -0.339 local terms energy: -52.559426 where: bonds (distance) C4'-P energy: -8.176 bonds (distance) P-C4' energy: -10.167 flat angles C4'-P-C4' energy: -13.939 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -11.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 47 Temperature: 1.250000 Total energy: -102.970227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.970227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.970227 (E_RNA) where: Base-Base interactions energy: -67.910 where: short stacking energy: -34.012 Base-Backbone interact. energy: -0.240 local terms energy: -34.820137 where: bonds (distance) C4'-P energy: -11.265 bonds (distance) P-C4' energy: -11.996 flat angles C4'-P-C4' energy: -10.536 flat angles P-C4'-P energy: -2.813 tors. eta vs tors. theta energy: 1.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 47 Temperature: 1.300000 Total energy: -76.951999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.951999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.951999 (E_RNA) where: Base-Base interactions energy: -39.050 where: short stacking energy: -36.996 Base-Backbone interact. energy: -0.042 local terms energy: -37.859439 where: bonds (distance) C4'-P energy: -7.567 bonds (distance) P-C4' energy: -8.809 flat angles C4'-P-C4' energy: -12.258 flat angles P-C4'-P energy: -5.264 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: 10, replica: 7 ===================================== Write number: 47 Temperature: 1.350000 Total energy: -81.696463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.696463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.696463 (E_RNA) where: Base-Base interactions energy: -38.165 where: short stacking energy: -31.088 Base-Backbone interact. energy: 0.740 local terms energy: -44.271679 where: bonds (distance) C4'-P energy: -10.640 bonds (distance) P-C4' energy: -11.056 flat angles C4'-P-C4' energy: -11.506 flat angles P-C4'-P energy: -5.490 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: 1, replica: 9 ===================================== Write number: 48 Temperature: 0.900000 Total energy: -196.992767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.992767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.992767 (E_RNA) where: Base-Base interactions energy: -129.478 where: short stacking energy: -58.766 Base-Backbone interact. energy: -0.195 local terms energy: -67.319656 where: bonds (distance) C4'-P energy: -10.065 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -14.761 flat angles P-C4'-P energy: -11.111 tors. eta vs tors. theta energy: -16.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 48 Temperature: 0.950000 Total energy: -189.871500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.871500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.871500 (E_RNA) where: Base-Base interactions energy: -122.233 where: short stacking energy: -60.427 Base-Backbone interact. energy: -0.002 local terms energy: -67.636835 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -10.874 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -12.735 tors. eta vs tors. theta energy: -17.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 48 Temperature: 1.000000 Total energy: -180.731635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.731635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.731635 (E_RNA) where: Base-Base interactions energy: -111.847 where: short stacking energy: -62.361 Base-Backbone interact. energy: -0.008 local terms energy: -68.876124 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -16.135 flat angles P-C4'-P energy: -5.144 tors. eta vs tors. theta energy: -17.335 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 48 Temperature: 1.050000 Total energy: -184.155394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.155394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.155394 (E_RNA) where: Base-Base interactions energy: -115.955 where: short stacking energy: -46.377 Base-Backbone interact. energy: -0.775 local terms energy: -67.425892 where: bonds (distance) C4'-P energy: -14.195 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -14.670 flat angles P-C4'-P energy: -8.297 tors. eta vs tors. theta energy: -15.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 48 Temperature: 1.100000 Total energy: -170.882825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.882825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.882825 (E_RNA) where: Base-Base interactions energy: -106.743 where: short stacking energy: -57.425 Base-Backbone interact. energy: -0.018 local terms energy: -64.121174 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -13.101 flat angles P-C4'-P energy: -11.243 tors. eta vs tors. theta energy: -13.411 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: 8 ===================================== Write number: 48 Temperature: 1.150000 Total energy: -146.004168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.004168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.004168 (E_RNA) where: Base-Base interactions energy: -90.286 where: short stacking energy: -43.008 Base-Backbone interact. energy: -0.251 local terms energy: -55.467695 where: bonds (distance) C4'-P energy: -13.820 bonds (distance) P-C4' energy: -5.932 flat angles C4'-P-C4' energy: -12.968 flat angles P-C4'-P energy: -10.722 tors. eta vs tors. theta energy: -12.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 48 Temperature: 1.200000 Total energy: -165.195207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.195207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.195207 (E_RNA) where: Base-Base interactions energy: -104.309 where: short stacking energy: -51.793 Base-Backbone interact. energy: -0.037 local terms energy: -60.849383 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -11.724 flat angles P-C4'-P energy: -8.544 tors. eta vs tors. theta energy: -14.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 48 Temperature: 1.250000 Total energy: -114.583885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.583885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.583885 (E_RNA) where: Base-Base interactions energy: -71.470 where: short stacking energy: -39.863 Base-Backbone interact. energy: 0.226 local terms energy: -43.339652 where: bonds (distance) C4'-P energy: -12.862 bonds (distance) P-C4' energy: -8.189 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -5.299 tors. eta vs tors. theta energy: -9.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 48 Temperature: 1.300000 Total energy: -83.615884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.615884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.615884 (E_RNA) where: Base-Base interactions energy: -35.986 where: short stacking energy: -30.383 Base-Backbone interact. energy: -0.230 local terms energy: -47.399868 where: bonds (distance) C4'-P energy: -16.014 bonds (distance) P-C4' energy: -9.859 flat angles C4'-P-C4' energy: -6.505 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -6.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 48 Temperature: 1.350000 Total energy: -87.226150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.226150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.226150 (E_RNA) where: Base-Base interactions energy: -40.829 where: short stacking energy: -25.260 Base-Backbone interact. energy: -0.043 local terms energy: -46.354843 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -9.791 flat angles P-C4'-P energy: -6.281 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: 1, replica: 9 ===================================== Write number: 49 Temperature: 0.900000 Total energy: -202.641297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.641297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.641297 (E_RNA) where: Base-Base interactions energy: -128.431 where: short stacking energy: -64.769 Base-Backbone interact. energy: -0.014 local terms energy: -74.196454 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -15.389 flat angles C4'-P-C4' energy: -15.047 flat angles P-C4'-P energy: -12.237 tors. eta vs tors. theta energy: -16.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 49 Temperature: 0.950000 Total energy: -185.574262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.574262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.574262 (E_RNA) where: Base-Base interactions energy: -122.050 where: short stacking energy: -48.779 Base-Backbone interact. energy: 0.739 local terms energy: -64.262682 where: bonds (distance) C4'-P energy: -11.587 bonds (distance) P-C4' energy: -14.932 flat angles C4'-P-C4' energy: -15.182 flat angles P-C4'-P energy: -9.199 tors. eta vs tors. theta energy: -13.363 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: 3 ===================================== Write number: 49 Temperature: 1.000000 Total energy: -176.633751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.633751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.633751 (E_RNA) where: Base-Base interactions energy: -121.248 where: short stacking energy: -58.922 Base-Backbone interact. energy: 0.129 local terms energy: -55.515154 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -9.238 flat angles P-C4'-P energy: -6.298 tors. eta vs tors. theta energy: -13.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 49 Temperature: 1.050000 Total energy: -186.072724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.072724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.072724 (E_RNA) where: Base-Base interactions energy: -122.292 where: short stacking energy: -53.424 Base-Backbone interact. energy: -0.093 local terms energy: -63.687667 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -13.792 flat angles C4'-P-C4' energy: -12.235 flat angles P-C4'-P energy: -5.944 tors. eta vs tors. theta energy: -19.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 49 Temperature: 1.100000 Total energy: -174.418465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.418465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.418465 (E_RNA) where: Base-Base interactions energy: -112.667 where: short stacking energy: -62.229 Base-Backbone interact. energy: -0.009 local terms energy: -61.742616 where: bonds (distance) C4'-P energy: -9.420 bonds (distance) P-C4' energy: -12.353 flat angles C4'-P-C4' energy: -11.972 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -18.748 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: 10 ===================================== Write number: 49 Temperature: 1.150000 Total energy: -177.053590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.053590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.053590 (E_RNA) where: Base-Base interactions energy: -114.322 where: short stacking energy: -53.633 Base-Backbone interact. energy: -0.059 local terms energy: -62.673154 where: bonds (distance) C4'-P energy: -10.297 bonds (distance) P-C4' energy: -12.646 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -10.839 tors. eta vs tors. theta energy: -14.655 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: 7, replica: 8 ===================================== Write number: 49 Temperature: 1.200000 Total energy: -145.338827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.338827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.338827 (E_RNA) where: Base-Base interactions energy: -86.783 where: short stacking energy: -39.568 Base-Backbone interact. energy: -0.013 local terms energy: -58.542826 where: bonds (distance) C4'-P energy: -10.002 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -15.216 flat angles P-C4'-P energy: -7.633 tors. eta vs tors. theta energy: -12.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 49 Temperature: 1.250000 Total energy: -82.975619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.975619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.975619 (E_RNA) where: Base-Base interactions energy: -34.323 where: short stacking energy: -31.101 Base-Backbone interact. energy: -0.099 local terms energy: -48.553641 where: bonds (distance) C4'-P energy: -10.351 bonds (distance) P-C4' energy: -12.129 flat angles C4'-P-C4' energy: -10.867 flat angles P-C4'-P energy: -8.649 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: 9, replica: 5 ===================================== Write number: 49 Temperature: 1.300000 Total energy: -77.226497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.226497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.226497 (E_RNA) where: Base-Base interactions energy: -30.385 where: short stacking energy: -25.486 Base-Backbone interact. energy: -0.068 local terms energy: -46.773296 where: bonds (distance) C4'-P energy: -10.465 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -10.613 flat angles P-C4'-P energy: -8.764 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: 10, replica: 4 ===================================== Write number: 49 Temperature: 1.350000 Total energy: -88.067296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.067296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.067296 (E_RNA) where: Base-Base interactions energy: -45.047 where: short stacking energy: -25.443 Base-Backbone interact. energy: -0.253 local terms energy: -42.766821 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -13.200 flat angles C4'-P-C4' energy: -10.158 flat angles P-C4'-P energy: -8.709 tors. eta vs tors. theta energy: 2.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 50 Temperature: 0.900000 Total energy: -192.487291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.487291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.487291 (E_RNA) where: Base-Base interactions energy: -125.285 where: short stacking energy: -56.130 Base-Backbone interact. energy: -0.164 local terms energy: -67.037924 where: bonds (distance) C4'-P energy: -15.828 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -11.687 flat angles P-C4'-P energy: -7.023 tors. eta vs tors. theta energy: -16.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 50 Temperature: 0.950000 Total energy: -205.822604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.822604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.822604 (E_RNA) where: Base-Base interactions energy: -136.030 where: short stacking energy: -69.302 Base-Backbone interact. energy: -0.683 local terms energy: -69.109676 where: bonds (distance) C4'-P energy: -13.658 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -15.978 flat angles P-C4'-P energy: -10.302 tors. eta vs tors. theta energy: -16.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 50 Temperature: 1.000000 Total energy: -189.150893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.150893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.150893 (E_RNA) where: Base-Base interactions energy: -117.404 where: short stacking energy: -55.189 Base-Backbone interact. energy: -0.244 local terms energy: -71.503189 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.662 flat angles P-C4'-P energy: -11.495 tors. eta vs tors. theta energy: -16.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 50 Temperature: 1.050000 Total energy: -185.793847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.793847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.793847 (E_RNA) where: Base-Base interactions energy: -121.788 where: short stacking energy: -51.371 Base-Backbone interact. energy: -0.102 local terms energy: -63.903185 where: bonds (distance) C4'-P energy: -12.804 bonds (distance) P-C4' energy: -15.176 flat angles C4'-P-C4' energy: -10.212 flat angles P-C4'-P energy: -7.645 tors. eta vs tors. theta energy: -18.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 50 Temperature: 1.100000 Total energy: -166.593566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.593566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.593566 (E_RNA) where: Base-Base interactions energy: -111.526 where: short stacking energy: -46.216 Base-Backbone interact. energy: -0.163 local terms energy: -54.903809 where: bonds (distance) C4'-P energy: -10.885 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -12.310 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -10.329 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: 10 ===================================== Write number: 50 Temperature: 1.150000 Total energy: -153.524652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.524652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.524652 (E_RNA) where: Base-Base interactions energy: -94.514 where: short stacking energy: -44.648 Base-Backbone interact. energy: -0.047 local terms energy: -58.963068 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -14.540 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -13.282 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: 8 ===================================== Write number: 50 Temperature: 1.200000 Total energy: -110.539602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.539602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.539602 (E_RNA) where: Base-Base interactions energy: -63.748 where: short stacking energy: -21.944 Base-Backbone interact. energy: -0.110 local terms energy: -46.681024 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -9.535 flat angles C4'-P-C4' energy: -14.884 flat angles P-C4'-P energy: -8.078 tors. eta vs tors. theta energy: -1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 50 Temperature: 1.250000 Total energy: -83.008468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.008468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.008468 (E_RNA) where: Base-Base interactions energy: -39.371 where: short stacking energy: -37.414 Base-Backbone interact. energy: 0.825 local terms energy: -44.462204 where: bonds (distance) C4'-P energy: -11.324 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -10.304 flat angles P-C4'-P energy: -6.152 tors. eta vs tors. theta energy: -4.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 50 Temperature: 1.300000 Total energy: -85.557640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.557640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.557640 (E_RNA) where: Base-Base interactions energy: -30.606 where: short stacking energy: -30.606 Base-Backbone interact. energy: -0.107 local terms energy: -54.844706 where: bonds (distance) C4'-P energy: -9.021 bonds (distance) P-C4' energy: -15.288 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -7.714 tors. eta vs tors. theta energy: -8.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 50 Temperature: 1.350000 Total energy: -83.151501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.151501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.151501 (E_RNA) where: Base-Base interactions energy: -34.555 where: short stacking energy: -33.325 Base-Backbone interact. energy: 0.777 local terms energy: -49.373531 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -12.311 flat angles C4'-P-C4' energy: -11.986 flat angles P-C4'-P energy: -6.764 tors. eta vs tors. theta energy: -8.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 51 Temperature: 0.900000 Total energy: -185.966876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.966876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.966876 (E_RNA) where: Base-Base interactions energy: -116.436 where: short stacking energy: -53.410 Base-Backbone interact. energy: -0.096 local terms energy: -69.435232 where: bonds (distance) C4'-P energy: -16.639 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -14.312 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -12.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 51 Temperature: 0.950000 Total energy: -202.324298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.324298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.324298 (E_RNA) where: Base-Base interactions energy: -134.413 where: short stacking energy: -61.993 Base-Backbone interact. energy: -0.120 local terms energy: -67.791453 where: bonds (distance) C4'-P energy: -13.045 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -10.910 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -19.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 51 Temperature: 1.000000 Total energy: -197.159891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.159891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.159891 (E_RNA) where: Base-Base interactions energy: -129.722 where: short stacking energy: -58.935 Base-Backbone interact. energy: -0.004 local terms energy: -67.434559 where: bonds (distance) C4'-P energy: -13.509 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -12.847 flat angles P-C4'-P energy: -11.703 tors. eta vs tors. theta energy: -14.709 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: 3 ===================================== Write number: 51 Temperature: 1.050000 Total energy: -180.728250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.728250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.728250 (E_RNA) where: Base-Base interactions energy: -110.471 where: short stacking energy: -56.994 Base-Backbone interact. energy: -0.019 local terms energy: -70.237707 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -11.296 tors. eta vs tors. theta energy: -17.463 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: 6 ===================================== Write number: 51 Temperature: 1.100000 Total energy: -176.865611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.865611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.865611 (E_RNA) where: Base-Base interactions energy: -114.337 where: short stacking energy: -54.423 Base-Backbone interact. energy: -0.038 local terms energy: -62.490744 where: bonds (distance) C4'-P energy: -10.927 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -12.166 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -15.355 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: 6, replica: 10 ===================================== Write number: 51 Temperature: 1.150000 Total energy: -166.545160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.545160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.545160 (E_RNA) where: Base-Base interactions energy: -121.390 where: short stacking energy: -44.435 Base-Backbone interact. energy: -0.356 local terms energy: -44.798817 where: bonds (distance) C4'-P energy: -8.450 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -12.357 flat angles P-C4'-P energy: -4.293 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: 7, replica: 8 ===================================== Write number: 51 Temperature: 1.200000 Total energy: -86.652559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.652559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.652559 (E_RNA) where: Base-Base interactions energy: -37.061 where: short stacking energy: -33.313 Base-Backbone interact. energy: -0.062 local terms energy: -49.530299 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -13.943 flat angles P-C4'-P energy: -4.963 tors. eta vs tors. theta energy: -6.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 51 Temperature: 1.250000 Total energy: -82.793331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.793331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.793331 (E_RNA) where: Base-Base interactions energy: -36.724 where: short stacking energy: -29.940 Base-Backbone interact. energy: -0.012 local terms energy: -46.057140 where: bonds (distance) C4'-P energy: -13.775 bonds (distance) P-C4' energy: -12.911 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -0.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 51 Temperature: 1.300000 Total energy: -85.115403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.115403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.115403 (E_RNA) where: Base-Base interactions energy: -30.815 where: short stacking energy: -30.815 Base-Backbone interact. energy: -0.181 local terms energy: -54.119363 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -13.089 flat angles C4'-P-C4' energy: -10.070 flat angles P-C4'-P energy: -10.120 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: 10, replica: 5 ===================================== Write number: 51 Temperature: 1.350000 Total energy: -79.456873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.456873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.456873 (E_RNA) where: Base-Base interactions energy: -35.061 where: short stacking energy: -35.061 Base-Backbone interact. energy: -0.061 local terms energy: -44.334248 where: bonds (distance) C4'-P energy: -1.260 bonds (distance) P-C4' energy: -17.119 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -10.357 tors. eta vs tors. theta energy: -2.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 52 Temperature: 0.900000 Total energy: -205.708601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.708601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.708601 (E_RNA) where: Base-Base interactions energy: -134.745 where: short stacking energy: -62.722 Base-Backbone interact. energy: -0.001 local terms energy: -70.963063 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -13.841 flat angles P-C4'-P energy: -7.634 tors. eta vs tors. theta energy: -19.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 52 Temperature: 0.950000 Total energy: -197.624222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.624222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.624222 (E_RNA) where: Base-Base interactions energy: -126.240 where: short stacking energy: -56.895 Base-Backbone interact. energy: -0.003 local terms energy: -71.381249 where: bonds (distance) C4'-P energy: -14.522 bonds (distance) P-C4' energy: -15.030 flat angles C4'-P-C4' energy: -14.525 flat angles P-C4'-P energy: -9.855 tors. eta vs tors. theta energy: -17.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 52 Temperature: 1.000000 Total energy: -189.749075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.749075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.749075 (E_RNA) where: Base-Base interactions energy: -130.523 where: short stacking energy: -57.258 Base-Backbone interact. energy: -0.059 local terms energy: -59.167573 where: bonds (distance) C4'-P energy: -11.431 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -8.627 flat angles P-C4'-P energy: -8.323 tors. eta vs tors. theta energy: -17.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 52 Temperature: 1.050000 Total energy: -202.986370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.986370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.986370 (E_RNA) where: Base-Base interactions energy: -135.862 where: short stacking energy: -60.354 Base-Backbone interact. energy: -0.001 local terms energy: -67.122599 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -9.173 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -18.116 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: 5, replica: 6 ===================================== Write number: 52 Temperature: 1.100000 Total energy: -175.582251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.582251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.582251 (E_RNA) where: Base-Base interactions energy: -113.992 where: short stacking energy: -55.490 Base-Backbone interact. energy: -0.299 local terms energy: -61.291866 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -14.607 flat angles P-C4'-P energy: -4.788 tors. eta vs tors. theta energy: -13.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 52 Temperature: 1.150000 Total energy: -175.940722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.940722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.940722 (E_RNA) where: Base-Base interactions energy: -117.396 where: short stacking energy: -53.311 Base-Backbone interact. energy: -0.087 local terms energy: -58.457338 where: bonds (distance) C4'-P energy: -11.556 bonds (distance) P-C4' energy: -11.581 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -17.155 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: 4 ===================================== Write number: 52 Temperature: 1.200000 Total energy: -98.627277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.627277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.627277 (E_RNA) where: Base-Base interactions energy: -44.637 where: short stacking energy: -33.603 Base-Backbone interact. energy: -0.082 local terms energy: -53.907696 where: bonds (distance) C4'-P energy: -10.839 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -12.340 flat angles P-C4'-P energy: -10.302 tors. eta vs tors. theta energy: -6.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 52 Temperature: 1.250000 Total energy: -70.713583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.713583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.713583 (E_RNA) where: Base-Base interactions energy: -24.695 where: short stacking energy: -20.477 Base-Backbone interact. energy: -0.179 local terms energy: -45.839416 where: bonds (distance) C4'-P energy: -14.212 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -9.150 flat angles P-C4'-P energy: -8.601 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: 9, replica: 5 ===================================== Write number: 52 Temperature: 1.300000 Total energy: -72.689929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.689929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.689929 (E_RNA) where: Base-Base interactions energy: -25.171 where: short stacking energy: -25.171 Base-Backbone interact. energy: -0.009 local terms energy: -47.510341 where: bonds (distance) C4'-P energy: -12.156 bonds (distance) P-C4' energy: -9.750 flat angles C4'-P-C4' energy: -10.960 flat angles P-C4'-P energy: -6.919 tors. eta vs tors. theta energy: -7.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 52 Temperature: 1.350000 Total energy: -94.525189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.525189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.525189 (E_RNA) where: Base-Base interactions energy: -38.349 where: short stacking energy: -34.915 Base-Backbone interact. energy: -0.170 local terms energy: -56.006029 where: bonds (distance) C4'-P energy: -10.227 bonds (distance) P-C4' energy: -13.568 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -10.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 53 Temperature: 0.900000 Total energy: -191.490807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.490807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.490807 (E_RNA) where: Base-Base interactions energy: -125.675 where: short stacking energy: -58.450 Base-Backbone interact. energy: -0.008 local terms energy: -65.807415 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -15.124 flat angles C4'-P-C4' energy: -15.930 flat angles P-C4'-P energy: -2.698 tors. eta vs tors. theta energy: -17.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 53 Temperature: 0.950000 Total energy: -196.219674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.219674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.219674 (E_RNA) where: Base-Base interactions energy: -126.489 where: short stacking energy: -64.599 Base-Backbone interact. energy: -0.108 local terms energy: -69.622441 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -15.532 flat angles C4'-P-C4' energy: -15.195 flat angles P-C4'-P energy: -7.308 tors. eta vs tors. theta energy: -18.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 53 Temperature: 1.000000 Total energy: -192.377337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.377337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.377337 (E_RNA) where: Base-Base interactions energy: -132.701 where: short stacking energy: -59.669 Base-Backbone interact. energy: -0.840 local terms energy: -58.836675 where: bonds (distance) C4'-P energy: -10.545 bonds (distance) P-C4' energy: -5.948 flat angles C4'-P-C4' energy: -14.891 flat angles P-C4'-P energy: -10.795 tors. eta vs tors. theta energy: -16.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 53 Temperature: 1.050000 Total energy: -200.583690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.583690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.583690 (E_RNA) where: Base-Base interactions energy: -133.022 where: short stacking energy: -71.190 Base-Backbone interact. energy: -0.000 local terms energy: -67.562006 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -8.498 flat angles C4'-P-C4' energy: -15.583 flat angles P-C4'-P energy: -10.574 tors. eta vs tors. theta energy: -18.865 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: 53 Temperature: 1.100000 Total energy: -165.828232 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.828232 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.828232 (E_RNA) where: Base-Base interactions energy: -115.435 where: short stacking energy: -54.012 Base-Backbone interact. energy: -0.004 local terms energy: -50.389415 where: bonds (distance) C4'-P energy: -12.635 bonds (distance) P-C4' energy: -10.722 flat angles C4'-P-C4' energy: -9.110 flat angles P-C4'-P energy: -6.791 tors. eta vs tors. theta energy: -11.132 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: 10 ===================================== Write number: 53 Temperature: 1.150000 Total energy: -175.371872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.371872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.371872 (E_RNA) where: Base-Base interactions energy: -119.879 where: short stacking energy: -53.345 Base-Backbone interact. energy: -0.053 local terms energy: -55.440750 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -9.183 flat angles C4'-P-C4' energy: -9.445 flat angles P-C4'-P energy: -3.193 tors. eta vs tors. theta energy: -18.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 53 Temperature: 1.200000 Total energy: -87.612462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.612462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.612462 (E_RNA) where: Base-Base interactions energy: -36.274 where: short stacking energy: -32.556 Base-Backbone interact. energy: -0.495 local terms energy: -50.843078 where: bonds (distance) C4'-P energy: -9.936 bonds (distance) P-C4' energy: -11.861 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -10.690 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: 8, replica: 5 ===================================== Write number: 53 Temperature: 1.250000 Total energy: -79.110580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.110580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.110580 (E_RNA) where: Base-Base interactions energy: -36.784 where: short stacking energy: -27.196 Base-Backbone interact. energy: -0.504 local terms energy: -41.822767 where: bonds (distance) C4'-P energy: -15.252 bonds (distance) P-C4' energy: -11.447 flat angles C4'-P-C4' energy: -10.202 flat angles P-C4'-P energy: -3.102 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 53 Temperature: 1.300000 Total energy: -66.720077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.720077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.720077 (E_RNA) where: Base-Base interactions energy: -19.226 where: short stacking energy: -19.226 Base-Backbone interact. energy: -0.096 local terms energy: -47.397640 where: bonds (distance) C4'-P energy: -12.002 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -10.515 flat angles P-C4'-P energy: -5.105 tors. eta vs tors. theta energy: -4.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 53 Temperature: 1.350000 Total energy: -75.596242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.596242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.596242 (E_RNA) where: Base-Base interactions energy: -34.637 where: short stacking energy: -28.931 Base-Backbone interact. energy: -0.130 local terms energy: -40.828792 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -0.676 tors. eta vs tors. theta energy: -0.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 54 Temperature: 0.900000 Total energy: -189.703885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.703885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.703885 (E_RNA) where: Base-Base interactions energy: -129.032 where: short stacking energy: -58.801 Base-Backbone interact. energy: -0.030 local terms energy: -60.642324 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -11.250 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -4.075 tors. eta vs tors. theta energy: -18.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 54 Temperature: 0.950000 Total energy: -198.572136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.572136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.572136 (E_RNA) where: Base-Base interactions energy: -129.029 where: short stacking energy: -62.446 Base-Backbone interact. energy: -0.005 local terms energy: -69.538357 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -14.670 flat angles C4'-P-C4' energy: -13.655 flat angles P-C4'-P energy: -10.196 tors. eta vs tors. theta energy: -17.852 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 54 Temperature: 1.000000 Total energy: -199.376676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.376676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.376676 (E_RNA) where: Base-Base interactions energy: -128.167 where: short stacking energy: -65.929 Base-Backbone interact. energy: -0.020 local terms energy: -71.189527 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -14.489 flat angles P-C4'-P energy: -10.496 tors. eta vs tors. theta energy: -18.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 54 Temperature: 1.050000 Total energy: -171.178436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.178436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.178436 (E_RNA) where: Base-Base interactions energy: -114.339 where: short stacking energy: -52.718 Base-Backbone interact. energy: 0.161 local terms energy: -57.000616 where: bonds (distance) C4'-P energy: -7.901 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -13.921 flat angles P-C4'-P energy: -9.823 tors. eta vs tors. theta energy: -12.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 54 Temperature: 1.100000 Total energy: -169.176596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.176596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.176596 (E_RNA) where: Base-Base interactions energy: -109.240 where: short stacking energy: -44.434 Base-Backbone interact. energy: -0.012 local terms energy: -59.924175 where: bonds (distance) C4'-P energy: -10.300 bonds (distance) P-C4' energy: -10.302 flat angles C4'-P-C4' energy: -13.887 flat angles P-C4'-P energy: -11.924 tors. eta vs tors. theta energy: -13.511 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: 6, replica: 6 ===================================== Write number: 54 Temperature: 1.150000 Total energy: -176.188141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.188141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.188141 (E_RNA) where: Base-Base interactions energy: -114.891 where: short stacking energy: -46.457 Base-Backbone interact. energy: -0.148 local terms energy: -61.148814 where: bonds (distance) C4'-P energy: -11.435 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -13.650 flat angles P-C4'-P energy: -8.680 tors. eta vs tors. theta energy: -12.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 54 Temperature: 1.200000 Total energy: -94.567716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.567716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.567716 (E_RNA) where: Base-Base interactions energy: -43.106 where: short stacking energy: -43.106 Base-Backbone interact. energy: -0.002 local terms energy: -51.459872 where: bonds (distance) C4'-P energy: -8.893 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -8.605 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: 8, replica: 4 ===================================== Write number: 54 Temperature: 1.250000 Total energy: -93.172671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.172671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.172671 (E_RNA) where: Base-Base interactions energy: -53.863 where: short stacking energy: -26.072 Base-Backbone interact. energy: -0.298 local terms energy: -39.011400 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -8.204 flat angles C4'-P-C4' energy: -10.992 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -1.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 54 Temperature: 1.300000 Total energy: -82.651937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.651937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.651937 (E_RNA) where: Base-Base interactions energy: -25.362 where: short stacking energy: -25.176 Base-Backbone interact. energy: -0.080 local terms energy: -57.209485 where: bonds (distance) C4'-P energy: -14.734 bonds (distance) P-C4' energy: -15.840 flat angles C4'-P-C4' energy: -14.969 flat angles P-C4'-P energy: -7.444 tors. eta vs tors. theta energy: -4.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 54 Temperature: 1.350000 Total energy: -72.395769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.395769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.395769 (E_RNA) where: Base-Base interactions energy: -23.402 where: short stacking energy: -21.892 Base-Backbone interact. energy: -0.058 local terms energy: -48.935906 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -14.488 flat angles C4'-P-C4' energy: -12.313 flat angles P-C4'-P energy: -5.951 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: 1, replica: 2 ===================================== Write number: 55 Temperature: 0.900000 Total energy: -191.798383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.798383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.798383 (E_RNA) where: Base-Base interactions energy: -127.153 where: short stacking energy: -63.707 Base-Backbone interact. energy: 0.429 local terms energy: -65.074259 where: bonds (distance) C4'-P energy: -12.498 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -11.544 tors. eta vs tors. theta energy: -16.324 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: 2, replica: 1 ===================================== Write number: 55 Temperature: 0.950000 Total energy: -186.356595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.356595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.356595 (E_RNA) where: Base-Base interactions energy: -118.547 where: short stacking energy: -63.747 Base-Backbone interact. energy: -0.776 local terms energy: -67.033228 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -15.374 flat angles C4'-P-C4' energy: -12.715 flat angles P-C4'-P energy: -8.367 tors. eta vs tors. theta energy: -16.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 55 Temperature: 1.000000 Total energy: -211.303458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.303458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.303458 (E_RNA) where: Base-Base interactions energy: -140.374 where: short stacking energy: -70.836 Base-Backbone interact. energy: -0.055 local terms energy: -70.874716 where: bonds (distance) C4'-P energy: -12.337 bonds (distance) P-C4' energy: -10.840 flat angles C4'-P-C4' energy: -15.677 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -21.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 55 Temperature: 1.050000 Total energy: -185.756656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.756656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.756656 (E_RNA) where: Base-Base interactions energy: -117.585 where: short stacking energy: -55.369 Base-Backbone interact. energy: -0.093 local terms energy: -68.078899 where: bonds (distance) C4'-P energy: -14.222 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -11.465 flat angles P-C4'-P energy: -9.087 tors. eta vs tors. theta energy: -19.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 55 Temperature: 1.100000 Total energy: -174.509531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.509531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.509531 (E_RNA) where: Base-Base interactions energy: -104.389 where: short stacking energy: -50.182 Base-Backbone interact. energy: -0.034 local terms energy: -70.086630 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -16.414 flat angles P-C4'-P energy: -9.584 tors. eta vs tors. theta energy: -16.395 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: 6 ===================================== Write number: 55 Temperature: 1.150000 Total energy: -178.387436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.387436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.387436 (E_RNA) where: Base-Base interactions energy: -110.916 where: short stacking energy: -48.974 Base-Backbone interact. energy: -0.208 local terms energy: -67.263396 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -15.320 flat angles P-C4'-P energy: -4.685 tors. eta vs tors. theta energy: -17.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 55 Temperature: 1.200000 Total energy: -88.323187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.323187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.323187 (E_RNA) where: Base-Base interactions energy: -34.923 where: short stacking energy: -34.923 Base-Backbone interact. energy: -0.593 local terms energy: -52.807277 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -14.162 flat angles C4'-P-C4' energy: -11.504 flat angles P-C4'-P energy: -1.956 tors. eta vs tors. theta energy: -13.175 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: 7 ===================================== Write number: 55 Temperature: 1.250000 Total energy: -72.709012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.709012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.709012 (E_RNA) where: Base-Base interactions energy: -26.631 where: short stacking energy: -26.631 Base-Backbone interact. energy: -0.215 local terms energy: -45.863793 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -10.287 flat angles P-C4'-P energy: -8.844 tors. eta vs tors. theta energy: -1.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 55 Temperature: 1.300000 Total energy: -82.975612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.975612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.975612 (E_RNA) where: Base-Base interactions energy: -33.210 where: short stacking energy: -33.210 Base-Backbone interact. energy: -0.368 local terms energy: -49.397096 where: bonds (distance) C4'-P energy: -10.255 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -11.584 flat angles P-C4'-P energy: -9.277 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: 10, replica: 8 ===================================== Write number: 55 Temperature: 1.350000 Total energy: -80.870518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.870518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.870518 (E_RNA) where: Base-Base interactions energy: -34.337 where: short stacking energy: -29.924 Base-Backbone interact. energy: -0.021 local terms energy: -46.512135 where: bonds (distance) C4'-P energy: -9.887 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -10.710 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -5.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 56 Temperature: 0.900000 Total energy: -201.072633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.072633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.072633 (E_RNA) where: Base-Base interactions energy: -132.911 where: short stacking energy: -65.933 Base-Backbone interact. energy: 0.566 local terms energy: -68.727587 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -12.617 flat angles C4'-P-C4' energy: -13.542 flat angles P-C4'-P energy: -9.410 tors. eta vs tors. theta energy: -19.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 56 Temperature: 0.950000 Total energy: -195.246405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.246405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.246405 (E_RNA) where: Base-Base interactions energy: -122.661 where: short stacking energy: -63.716 Base-Backbone interact. energy: -0.002 local terms energy: -72.583139 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -15.196 flat angles P-C4'-P energy: -8.089 tors. eta vs tors. theta energy: -20.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 56 Temperature: 1.000000 Total energy: -205.680906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.680906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.680906 (E_RNA) where: Base-Base interactions energy: -136.795 where: short stacking energy: -62.079 Base-Backbone interact. energy: -0.012 local terms energy: -68.873372 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -14.135 flat angles C4'-P-C4' energy: -15.614 flat angles P-C4'-P energy: -6.988 tors. eta vs tors. theta energy: -18.938 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 56 Temperature: 1.050000 Total energy: -172.375030 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.375030 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.375030 (E_RNA) where: Base-Base interactions energy: -112.828 where: short stacking energy: -53.098 Base-Backbone interact. energy: -0.119 local terms energy: -59.428225 where: bonds (distance) C4'-P energy: -13.149 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -13.762 flat angles P-C4'-P energy: -5.595 tors. eta vs tors. theta energy: -13.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 56 Temperature: 1.100000 Total energy: -176.247912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.247912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.247912 (E_RNA) where: Base-Base interactions energy: -108.212 where: short stacking energy: -49.936 Base-Backbone interact. energy: -0.010 local terms energy: -68.025664 where: bonds (distance) C4'-P energy: -14.039 bonds (distance) P-C4' energy: -17.355 flat angles C4'-P-C4' energy: -14.906 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: -13.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 56 Temperature: 1.150000 Total energy: -165.252879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.252879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.252879 (E_RNA) where: Base-Base interactions energy: -102.342 where: short stacking energy: -48.448 Base-Backbone interact. energy: -0.033 local terms energy: -62.878352 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -14.263 flat angles C4'-P-C4' energy: -13.850 flat angles P-C4'-P energy: -5.798 tors. eta vs tors. theta energy: -15.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 56 Temperature: 1.200000 Total energy: -78.110598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.110598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.110598 (E_RNA) where: Base-Base interactions energy: -30.105 where: short stacking energy: -30.105 Base-Backbone interact. energy: -1.396 local terms energy: -46.610303 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -3.745 flat angles P-C4'-P energy: -9.879 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: 8, replica: 5 ===================================== Write number: 56 Temperature: 1.250000 Total energy: -85.531035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.531035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.531035 (E_RNA) where: Base-Base interactions energy: -35.861 where: short stacking energy: -33.285 Base-Backbone interact. energy: -0.062 local terms energy: -49.607882 where: bonds (distance) C4'-P energy: -8.334 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -8.912 flat angles P-C4'-P energy: -7.992 tors. eta vs tors. theta energy: -9.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 56 Temperature: 1.300000 Total energy: -81.152290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.152290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.152290 (E_RNA) where: Base-Base interactions energy: -30.304 where: short stacking energy: -30.304 Base-Backbone interact. energy: -0.062 local terms energy: -50.786005 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -12.958 flat angles P-C4'-P energy: -6.333 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: 10, replica: 4 ===================================== Write number: 56 Temperature: 1.350000 Total energy: -72.738987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.738987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.738987 (E_RNA) where: Base-Base interactions energy: -28.720 where: short stacking energy: -22.689 Base-Backbone interact. energy: -0.098 local terms energy: -43.920819 where: bonds (distance) C4'-P energy: -9.362 bonds (distance) P-C4' energy: -12.755 flat angles C4'-P-C4' energy: -10.388 flat angles P-C4'-P energy: -6.818 tors. eta vs tors. theta energy: -4.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 57 Temperature: 0.900000 Total energy: -191.920243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.920243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.920243 (E_RNA) where: Base-Base interactions energy: -125.071 where: short stacking energy: -51.298 Base-Backbone interact. energy: -0.001 local terms energy: -66.847816 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -13.439 flat angles C4'-P-C4' energy: -14.505 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -16.853 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 57 Temperature: 0.950000 Total energy: -201.470685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.470685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.470685 (E_RNA) where: Base-Base interactions energy: -135.072 where: short stacking energy: -60.643 Base-Backbone interact. energy: -0.030 local terms energy: -66.368565 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -8.234 flat angles C4'-P-C4' energy: -13.984 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -20.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 57 Temperature: 1.000000 Total energy: -189.917323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.917323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.917323 (E_RNA) where: Base-Base interactions energy: -124.995 where: short stacking energy: -58.533 Base-Backbone interact. energy: 0.664 local terms energy: -65.586336 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -12.163 flat angles P-C4'-P energy: -12.123 tors. eta vs tors. theta energy: -16.226 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 57 Temperature: 1.050000 Total energy: -175.886659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.886659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.886659 (E_RNA) where: Base-Base interactions energy: -108.180 where: short stacking energy: -48.654 Base-Backbone interact. energy: 1.078 local terms energy: -68.784761 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -14.436 flat angles P-C4'-P energy: -11.551 tors. eta vs tors. theta energy: -14.830 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: 5, replica: 3 ===================================== Write number: 57 Temperature: 1.100000 Total energy: -164.085226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.085226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.085226 (E_RNA) where: Base-Base interactions energy: -106.917 where: short stacking energy: -45.583 Base-Backbone interact. energy: 0.504 local terms energy: -57.672810 where: bonds (distance) C4'-P energy: -10.619 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -11.688 tors. eta vs tors. theta energy: -9.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 57 Temperature: 1.150000 Total energy: -164.505286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.505286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.505286 (E_RNA) where: Base-Base interactions energy: -110.673 where: short stacking energy: -52.112 Base-Backbone interact. energy: -0.109 local terms energy: -53.722956 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -7.424 flat angles P-C4'-P energy: -8.380 tors. eta vs tors. theta energy: -11.931 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: 7 ===================================== Write number: 57 Temperature: 1.200000 Total energy: -85.855659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.855659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.855659 (E_RNA) where: Base-Base interactions energy: -36.394 where: short stacking energy: -32.929 Base-Backbone interact. energy: -0.209 local terms energy: -49.252533 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -12.453 flat angles C4'-P-C4' energy: -11.620 flat angles P-C4'-P energy: -8.445 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: 8, replica: 8 ===================================== Write number: 57 Temperature: 1.250000 Total energy: -81.659971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.659971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.659971 (E_RNA) where: Base-Base interactions energy: -41.688 where: short stacking energy: -34.485 Base-Backbone interact. energy: -0.311 local terms energy: -39.661013 where: bonds (distance) C4'-P energy: -7.551 bonds (distance) P-C4' energy: -12.693 flat angles C4'-P-C4' energy: -10.590 flat angles P-C4'-P energy: -7.144 tors. eta vs tors. theta energy: -1.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 57 Temperature: 1.300000 Total energy: -86.215434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.215434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.215434 (E_RNA) where: Base-Base interactions energy: -30.343 where: short stacking energy: -30.343 Base-Backbone interact. energy: -0.014 local terms energy: -55.857846 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -11.088 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -9.650 tors. eta vs tors. theta energy: -9.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 57 Temperature: 1.350000 Total energy: -66.164763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.164763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.164763 (E_RNA) where: Base-Base interactions energy: -22.928 where: short stacking energy: -22.928 Base-Backbone interact. energy: 0.155 local terms energy: -43.391544 where: bonds (distance) C4'-P energy: -9.030 bonds (distance) P-C4' energy: -15.773 flat angles C4'-P-C4' energy: -10.994 flat angles P-C4'-P energy: -3.961 tors. eta vs tors. theta energy: -3.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 58 Temperature: 0.900000 Total energy: -206.543013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.543013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.543013 (E_RNA) where: Base-Base interactions energy: -139.819 where: short stacking energy: -65.854 Base-Backbone interact. energy: -0.001 local terms energy: -66.722840 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -17.747 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: 58 Temperature: 0.950000 Total energy: -195.449653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.449653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.449653 (E_RNA) where: Base-Base interactions energy: -125.589 where: short stacking energy: -59.254 Base-Backbone interact. energy: -0.181 local terms energy: -69.679478 where: bonds (distance) C4'-P energy: -15.889 bonds (distance) P-C4' energy: -13.836 flat angles C4'-P-C4' energy: -12.512 flat angles P-C4'-P energy: -7.783 tors. eta vs tors. theta energy: -19.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 58 Temperature: 1.000000 Total energy: -192.068004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.068004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.068004 (E_RNA) where: Base-Base interactions energy: -126.049 where: short stacking energy: -53.288 Base-Backbone interact. energy: -0.599 local terms energy: -65.420544 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -12.776 flat angles P-C4'-P energy: -8.521 tors. eta vs tors. theta energy: -17.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 58 Temperature: 1.050000 Total energy: -173.216243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.216243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.216243 (E_RNA) where: Base-Base interactions energy: -109.789 where: short stacking energy: -47.833 Base-Backbone interact. energy: -0.062 local terms energy: -63.365011 where: bonds (distance) C4'-P energy: -15.040 bonds (distance) P-C4' energy: -16.683 flat angles C4'-P-C4' energy: -11.773 flat angles P-C4'-P energy: -9.827 tors. eta vs tors. theta energy: -10.041 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: 6 ===================================== Write number: 58 Temperature: 1.100000 Total energy: -177.498368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.498368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.498368 (E_RNA) where: Base-Base interactions energy: -118.804 where: short stacking energy: -55.059 Base-Backbone interact. energy: -0.187 local terms energy: -58.507912 where: bonds (distance) C4'-P energy: -12.808 bonds (distance) P-C4' energy: -13.601 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -4.628 tors. eta vs tors. theta energy: -12.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 58 Temperature: 1.150000 Total energy: -164.162227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.162227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.162227 (E_RNA) where: Base-Base interactions energy: -107.938 where: short stacking energy: -54.422 Base-Backbone interact. energy: -0.338 local terms energy: -55.887164 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -7.464 tors. eta vs tors. theta energy: -7.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 58 Temperature: 1.200000 Total energy: -85.303334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.303334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.303334 (E_RNA) where: Base-Base interactions energy: -40.012 where: short stacking energy: -35.915 Base-Backbone interact. energy: -0.025 local terms energy: -45.266085 where: bonds (distance) C4'-P energy: -8.960 bonds (distance) P-C4' energy: -14.717 flat angles C4'-P-C4' energy: -8.250 flat angles P-C4'-P energy: -8.956 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: 8, replica: 7 ===================================== Write number: 58 Temperature: 1.250000 Total energy: -82.852860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.852860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.852860 (E_RNA) where: Base-Base interactions energy: -35.381 where: short stacking energy: -31.027 Base-Backbone interact. energy: -0.119 local terms energy: -47.353416 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -13.180 flat angles C4'-P-C4' energy: -12.197 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -2.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 58 Temperature: 1.300000 Total energy: -90.084983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.084983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.084983 (E_RNA) where: Base-Base interactions energy: -36.339 where: short stacking energy: -36.339 Base-Backbone interact. energy: 0.869 local terms energy: -54.614826 where: bonds (distance) C4'-P energy: -11.945 bonds (distance) P-C4' energy: -14.597 flat angles C4'-P-C4' energy: -10.499 flat angles P-C4'-P energy: -7.632 tors. eta vs tors. theta energy: -9.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 58 Temperature: 1.350000 Total energy: -67.958458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.958458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.958458 (E_RNA) where: Base-Base interactions energy: -21.093 where: short stacking energy: -19.778 Base-Backbone interact. energy: -0.163 local terms energy: -46.701985 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -11.875 flat angles C4'-P-C4' energy: -9.041 flat angles P-C4'-P energy: -8.526 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: 1, replica: 9 ===================================== Write number: 59 Temperature: 0.900000 Total energy: -210.812382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.812382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.812382 (E_RNA) where: Base-Base interactions energy: -138.828 where: short stacking energy: -71.515 Base-Backbone interact. energy: -0.002 local terms energy: -71.982341 where: bonds (distance) C4'-P energy: -12.127 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -21.323 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: 1 ===================================== Write number: 59 Temperature: 0.950000 Total energy: -197.587666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.587666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.587666 (E_RNA) where: Base-Base interactions energy: -127.013 where: short stacking energy: -64.382 Base-Backbone interact. energy: -0.004 local terms energy: -70.570177 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -9.288 tors. eta vs tors. theta energy: -20.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 59 Temperature: 1.000000 Total energy: -197.857399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.857399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.857399 (E_RNA) where: Base-Base interactions energy: -134.776 where: short stacking energy: -70.420 Base-Backbone interact. energy: -0.270 local terms energy: -62.811659 where: bonds (distance) C4'-P energy: -8.947 bonds (distance) P-C4' energy: -15.120 flat angles C4'-P-C4' energy: -12.737 flat angles P-C4'-P energy: -5.732 tors. eta vs tors. theta energy: -20.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 59 Temperature: 1.050000 Total energy: -188.505361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.505361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.505361 (E_RNA) where: Base-Base interactions energy: -126.585 where: short stacking energy: -59.296 Base-Backbone interact. energy: -0.055 local terms energy: -61.864735 where: bonds (distance) C4'-P energy: -7.961 bonds (distance) P-C4' energy: -14.243 flat angles C4'-P-C4' energy: -16.947 flat angles P-C4'-P energy: -6.160 tors. eta vs tors. theta energy: -16.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 59 Temperature: 1.100000 Total energy: -179.196951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.196951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.196951 (E_RNA) where: Base-Base interactions energy: -115.395 where: short stacking energy: -55.794 Base-Backbone interact. energy: 5.316 local terms energy: -69.118512 where: bonds (distance) C4'-P energy: -11.430 bonds (distance) P-C4' energy: -15.874 flat angles C4'-P-C4' energy: -14.196 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -18.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 59 Temperature: 1.150000 Total energy: -156.547598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.547598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.547598 (E_RNA) where: Base-Base interactions energy: -106.400 where: short stacking energy: -40.011 Base-Backbone interact. energy: -0.064 local terms energy: -50.084344 where: bonds (distance) C4'-P energy: -13.038 bonds (distance) P-C4' energy: -8.694 flat angles C4'-P-C4' energy: -14.393 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -10.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 59 Temperature: 1.200000 Total energy: -87.466112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.466112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.466112 (E_RNA) where: Base-Base interactions energy: -40.714 where: short stacking energy: -40.714 Base-Backbone interact. energy: 0.189 local terms energy: -46.941394 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -11.535 flat angles C4'-P-C4' energy: -9.593 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -6.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 59 Temperature: 1.250000 Total energy: -88.024918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.024918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.024918 (E_RNA) where: Base-Base interactions energy: -35.066 where: short stacking energy: -34.084 Base-Backbone interact. energy: -0.121 local terms energy: -52.837537 where: bonds (distance) C4'-P energy: -10.218 bonds (distance) P-C4' energy: -14.932 flat angles C4'-P-C4' energy: -12.043 flat angles P-C4'-P energy: -11.064 tors. eta vs tors. theta energy: -4.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 59 Temperature: 1.300000 Total energy: -77.621036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.621036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.621036 (E_RNA) where: Base-Base interactions energy: -31.778 where: short stacking energy: -27.386 Base-Backbone interact. energy: -0.351 local terms energy: -45.491285 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -9.247 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -5.936 tors. eta vs tors. theta energy: -5.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 59 Temperature: 1.350000 Total energy: -71.958953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.958953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.958953 (E_RNA) where: Base-Base interactions energy: -26.850 where: short stacking energy: -26.850 Base-Backbone interact. energy: -0.139 local terms energy: -44.969307 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -9.697 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -8.526 tors. eta vs tors. theta energy: -5.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 60 Temperature: 0.900000 Total energy: -193.669329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.669329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.669329 (E_RNA) where: Base-Base interactions energy: -126.721 where: short stacking energy: -47.886 Base-Backbone interact. energy: -0.581 local terms energy: -66.367172 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -15.178 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: -15.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 60 Temperature: 0.950000 Total energy: -207.417623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.417623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.417623 (E_RNA) where: Base-Base interactions energy: -138.068 where: short stacking energy: -64.532 Base-Backbone interact. energy: -0.009 local terms energy: -69.340741 where: bonds (distance) C4'-P energy: -13.366 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -9.951 tors. eta vs tors. theta energy: -17.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 60 Temperature: 1.000000 Total energy: -185.036821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.036821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.036821 (E_RNA) where: Base-Base interactions energy: -117.478 where: short stacking energy: -54.078 Base-Backbone interact. energy: -0.045 local terms energy: -67.514033 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -15.282 flat angles P-C4'-P energy: -4.818 tors. eta vs tors. theta energy: -18.791 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: 10 ===================================== Write number: 60 Temperature: 1.050000 Total energy: -173.854811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.854811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.854811 (E_RNA) where: Base-Base interactions energy: -110.177 where: short stacking energy: -50.630 Base-Backbone interact. energy: -0.765 local terms energy: -62.913294 where: bonds (distance) C4'-P energy: -10.151 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -11.962 flat angles P-C4'-P energy: -9.666 tors. eta vs tors. theta energy: -17.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 60 Temperature: 1.100000 Total energy: -164.586585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.586585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.586585 (E_RNA) where: Base-Base interactions energy: -105.071 where: short stacking energy: -53.798 Base-Backbone interact. energy: -0.092 local terms energy: -59.423673 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -10.923 flat angles P-C4'-P energy: -5.993 tors. eta vs tors. theta energy: -16.029 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 60 Temperature: 1.150000 Total energy: -174.209506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.209506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.209506 (E_RNA) where: Base-Base interactions energy: -109.573 where: short stacking energy: -59.838 Base-Backbone interact. energy: -0.827 local terms energy: -63.809243 where: bonds (distance) C4'-P energy: -11.523 bonds (distance) P-C4' energy: -11.656 flat angles C4'-P-C4' energy: -12.097 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -19.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 60 Temperature: 1.200000 Total energy: -83.026686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.026686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.026686 (E_RNA) where: Base-Base interactions energy: -29.069 where: short stacking energy: -28.682 Base-Backbone interact. energy: -0.252 local terms energy: -53.705717 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -3.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 60 Temperature: 1.250000 Total energy: -85.295598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.295598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.295598 (E_RNA) where: Base-Base interactions energy: -37.236 where: short stacking energy: -36.288 Base-Backbone interact. energy: -0.030 local terms energy: -48.030340 where: bonds (distance) C4'-P energy: -11.099 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -7.221 flat angles P-C4'-P energy: -5.628 tors. eta vs tors. theta energy: -9.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 60 Temperature: 1.300000 Total energy: -71.736206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.736206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.736206 (E_RNA) where: Base-Base interactions energy: -24.118 where: short stacking energy: -24.118 Base-Backbone interact. energy: -0.086 local terms energy: -47.531753 where: bonds (distance) C4'-P energy: -13.849 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -10.243 flat angles P-C4'-P energy: -6.149 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: 10, replica: 7 ===================================== Write number: 60 Temperature: 1.350000 Total energy: -73.813762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.813762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.813762 (E_RNA) where: Base-Base interactions energy: -25.175 where: short stacking energy: -13.785 Base-Backbone interact. energy: -0.236 local terms energy: -48.402253 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -11.205 flat angles C4'-P-C4' energy: -12.971 flat angles P-C4'-P energy: -9.025 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: 1 ===================================== Write number: 61 Temperature: 0.900000 Total energy: -198.830918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.830918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.830918 (E_RNA) where: Base-Base interactions energy: -136.356 where: short stacking energy: -53.398 Base-Backbone interact. energy: 2.198 local terms energy: -64.672453 where: bonds (distance) C4'-P energy: -12.913 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -16.301 flat angles P-C4'-P energy: -6.014 tors. eta vs tors. theta energy: -16.240 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: 6 ===================================== Write number: 61 Temperature: 0.950000 Total energy: -181.531001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.531001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.531001 (E_RNA) where: Base-Base interactions energy: -116.827 where: short stacking energy: -49.822 Base-Backbone interact. energy: -0.011 local terms energy: -64.693026 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -12.908 flat angles P-C4'-P energy: -7.681 tors. eta vs tors. theta energy: -14.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 61 Temperature: 1.000000 Total energy: -202.936337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.936337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.936337 (E_RNA) where: Base-Base interactions energy: -136.780 where: short stacking energy: -61.305 Base-Backbone interact. energy: -0.030 local terms energy: -66.126237 where: bonds (distance) C4'-P energy: -12.280 bonds (distance) P-C4' energy: -12.181 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -11.154 tors. eta vs tors. theta energy: -16.759 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: 4, replica: 3 ===================================== Write number: 61 Temperature: 1.050000 Total energy: -173.082827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.082827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.082827 (E_RNA) where: Base-Base interactions energy: -107.756 where: short stacking energy: -45.897 Base-Backbone interact. energy: -0.105 local terms energy: -65.221979 where: bonds (distance) C4'-P energy: -11.790 bonds (distance) P-C4' energy: -16.129 flat angles C4'-P-C4' energy: -13.400 flat angles P-C4'-P energy: -10.130 tors. eta vs tors. theta energy: -13.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 61 Temperature: 1.100000 Total energy: -173.180424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.180424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.180424 (E_RNA) where: Base-Base interactions energy: -119.535 where: short stacking energy: -52.190 Base-Backbone interact. energy: 3.583 local terms energy: -57.227853 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -13.637 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -14.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 61 Temperature: 1.150000 Total energy: -165.423010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.423010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.423010 (E_RNA) where: Base-Base interactions energy: -102.279 where: short stacking energy: -53.391 Base-Backbone interact. energy: -0.812 local terms energy: -62.332171 where: bonds (distance) C4'-P energy: -11.580 bonds (distance) P-C4' energy: -13.549 flat angles C4'-P-C4' energy: -15.509 flat angles P-C4'-P energy: -8.631 tors. eta vs tors. theta energy: -13.063 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: 8 ===================================== Write number: 61 Temperature: 1.200000 Total energy: -87.298483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.298483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.298483 (E_RNA) where: Base-Base interactions energy: -33.046 where: short stacking energy: -33.046 Base-Backbone interact. energy: -0.059 local terms energy: -54.193427 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -15.587 flat angles C4'-P-C4' energy: -9.520 flat angles P-C4'-P energy: -7.517 tors. eta vs tors. theta energy: -8.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 61 Temperature: 1.250000 Total energy: -91.877943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.877943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.877943 (E_RNA) where: Base-Base interactions energy: -43.913 where: short stacking energy: -39.892 Base-Backbone interact. energy: -0.277 local terms energy: -47.687993 where: bonds (distance) C4'-P energy: -7.970 bonds (distance) P-C4' energy: -11.643 flat angles C4'-P-C4' energy: -12.654 flat angles P-C4'-P energy: -7.280 tors. eta vs tors. theta energy: -8.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 61 Temperature: 1.300000 Total energy: -75.399874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.399874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.399874 (E_RNA) where: Base-Base interactions energy: -26.076 where: short stacking energy: -26.076 Base-Backbone interact. energy: -0.203 local terms energy: -49.121051 where: bonds (distance) C4'-P energy: -6.904 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -6.357 tors. eta vs tors. theta energy: -7.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 61 Temperature: 1.350000 Total energy: -80.471181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.471181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.471181 (E_RNA) where: Base-Base interactions energy: -40.146 where: short stacking energy: -33.498 Base-Backbone interact. energy: -0.034 local terms energy: -40.291089 where: bonds (distance) C4'-P energy: -6.525 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -10.317 flat angles P-C4'-P energy: -1.576 tors. eta vs tors. theta energy: -6.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 62 Temperature: 0.900000 Total energy: -203.128701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.128701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.128701 (E_RNA) where: Base-Base interactions energy: -140.094 where: short stacking energy: -54.911 Base-Backbone interact. energy: -0.161 local terms energy: -62.874277 where: bonds (distance) C4'-P energy: -14.868 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -3.490 tors. eta vs tors. theta energy: -15.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 62 Temperature: 0.950000 Total energy: -189.907860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.907860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.907860 (E_RNA) where: Base-Base interactions energy: -120.346 where: short stacking energy: -55.852 Base-Backbone interact. energy: -0.145 local terms energy: -69.417072 where: bonds (distance) C4'-P energy: -15.480 bonds (distance) P-C4' energy: -14.048 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -15.607 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: 9 ===================================== Write number: 62 Temperature: 1.000000 Total energy: -201.085130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.085130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.085130 (E_RNA) where: Base-Base interactions energy: -129.463 where: short stacking energy: -62.710 Base-Backbone interact. energy: -0.097 local terms energy: -71.525450 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -15.236 flat angles P-C4'-P energy: -11.539 tors. eta vs tors. theta energy: -16.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 62 Temperature: 1.050000 Total energy: -175.903154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.903154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.903154 (E_RNA) where: Base-Base interactions energy: -112.025 where: short stacking energy: -53.389 Base-Backbone interact. energy: -0.122 local terms energy: -63.756409 where: bonds (distance) C4'-P energy: -12.781 bonds (distance) P-C4' energy: -15.426 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -11.363 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: 5, replica: 10 ===================================== Write number: 62 Temperature: 1.100000 Total energy: -169.948170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.948170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.948170 (E_RNA) where: Base-Base interactions energy: -115.477 where: short stacking energy: -48.470 Base-Backbone interact. energy: 0.655 local terms energy: -55.126123 where: bonds (distance) C4'-P energy: -10.823 bonds (distance) P-C4' energy: -13.224 flat angles C4'-P-C4' energy: -13.653 flat angles P-C4'-P energy: -7.315 tors. eta vs tors. theta energy: -10.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 62 Temperature: 1.150000 Total energy: -171.378816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.378816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.378816 (E_RNA) where: Base-Base interactions energy: -115.760 where: short stacking energy: -57.511 Base-Backbone interact. energy: -0.012 local terms energy: -55.606817 where: bonds (distance) C4'-P energy: -13.693 bonds (distance) P-C4' energy: -9.168 flat angles C4'-P-C4' energy: -7.894 flat angles P-C4'-P energy: -7.721 tors. eta vs tors. theta energy: -17.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 62 Temperature: 1.200000 Total energy: -98.704704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.704704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.704704 (E_RNA) where: Base-Base interactions energy: -50.846 where: short stacking energy: -25.265 Base-Backbone interact. energy: -0.061 local terms energy: -47.796745 where: bonds (distance) C4'-P energy: -10.010 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -6.726 flat angles P-C4'-P energy: -6.436 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: 8, replica: 8 ===================================== Write number: 62 Temperature: 1.250000 Total energy: -78.589418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.589418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.589418 (E_RNA) where: Base-Base interactions energy: -33.006 where: short stacking energy: -33.006 Base-Backbone interact. energy: -0.038 local terms energy: -45.545549 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -10.616 flat angles C4'-P-C4' energy: -10.891 flat angles P-C4'-P energy: -4.380 tors. eta vs tors. theta energy: -4.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 62 Temperature: 1.300000 Total energy: -81.382684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.382684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.382684 (E_RNA) where: Base-Base interactions energy: -35.068 where: short stacking energy: -35.068 Base-Backbone interact. energy: -0.117 local terms energy: -46.197474 where: bonds (distance) C4'-P energy: -9.340 bonds (distance) P-C4' energy: -11.006 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -4.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 62 Temperature: 1.350000 Total energy: -78.866136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.866136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.866136 (E_RNA) where: Base-Base interactions energy: -30.666 where: short stacking energy: -30.666 Base-Backbone interact. energy: 0.202 local terms energy: -48.401938 where: bonds (distance) C4'-P energy: -14.491 bonds (distance) P-C4' energy: -9.152 flat angles C4'-P-C4' energy: -9.779 flat angles P-C4'-P energy: -10.322 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: 1 ===================================== Write number: 63 Temperature: 0.900000 Total energy: -200.901156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.901156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.901156 (E_RNA) where: Base-Base interactions energy: -135.178 where: short stacking energy: -51.591 Base-Backbone interact. energy: -0.075 local terms energy: -65.648412 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -10.359 flat angles C4'-P-C4' energy: -16.078 flat angles P-C4'-P energy: -7.869 tors. eta vs tors. theta energy: -15.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 63 Temperature: 0.950000 Total energy: -205.414625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.414625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.414625 (E_RNA) where: Base-Base interactions energy: -134.366 where: short stacking energy: -63.273 Base-Backbone interact. energy: -0.604 local terms energy: -70.445329 where: bonds (distance) C4'-P energy: -11.752 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -11.047 tors. eta vs tors. theta energy: -18.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 63 Temperature: 1.000000 Total energy: -182.104530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.104530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.104530 (E_RNA) where: Base-Base interactions energy: -123.587 where: short stacking energy: -65.530 Base-Backbone interact. energy: -1.067 local terms energy: -57.450467 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -9.019 flat angles C4'-P-C4' energy: -9.819 flat angles P-C4'-P energy: -11.568 tors. eta vs tors. theta energy: -14.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 63 Temperature: 1.050000 Total energy: -166.567405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.567405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.567405 (E_RNA) where: Base-Base interactions energy: -109.261 where: short stacking energy: -52.095 Base-Backbone interact. energy: -0.053 local terms energy: -57.253731 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -11.856 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -10.637 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 63 Temperature: 1.100000 Total energy: -186.834571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.834571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.834571 (E_RNA) where: Base-Base interactions energy: -116.115 where: short stacking energy: -60.326 Base-Backbone interact. energy: -0.007 local terms energy: -70.713040 where: bonds (distance) C4'-P energy: -9.084 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -14.474 flat angles P-C4'-P energy: -11.006 tors. eta vs tors. theta energy: -20.213 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: 63 Temperature: 1.150000 Total energy: -164.697311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.697311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.697311 (E_RNA) where: Base-Base interactions energy: -103.594 where: short stacking energy: -48.194 Base-Backbone interact. energy: -0.256 local terms energy: -60.846369 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -13.761 flat angles C4'-P-C4' energy: -11.622 flat angles P-C4'-P energy: -8.291 tors. eta vs tors. theta energy: -12.445 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: 4 ===================================== Write number: 63 Temperature: 1.200000 Total energy: -97.454871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.454871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.454871 (E_RNA) where: Base-Base interactions energy: -44.638 where: short stacking energy: -39.029 Base-Backbone interact. energy: -0.060 local terms energy: -52.756655 where: bonds (distance) C4'-P energy: -10.396 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -12.385 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -7.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 63 Temperature: 1.250000 Total energy: -77.653712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.653712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.653712 (E_RNA) where: Base-Base interactions energy: -33.470 where: short stacking energy: -33.470 Base-Backbone interact. energy: -0.012 local terms energy: -44.171524 where: bonds (distance) C4'-P energy: -8.234 bonds (distance) P-C4' energy: -14.969 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -2.418 tors. eta vs tors. theta energy: -4.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 63 Temperature: 1.300000 Total energy: -93.806328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.806328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.806328 (E_RNA) where: Base-Base interactions energy: -41.293 where: short stacking energy: -41.293 Base-Backbone interact. energy: -0.005 local terms energy: -52.508889 where: bonds (distance) C4'-P energy: -5.602 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -7.320 tors. eta vs tors. theta energy: -11.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 63 Temperature: 1.350000 Total energy: -75.612273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.612273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.612273 (E_RNA) where: Base-Base interactions energy: -28.732 where: short stacking energy: -17.404 Base-Backbone interact. energy: -0.344 local terms energy: -46.536758 where: bonds (distance) C4'-P energy: -15.421 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -12.086 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -0.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 64 Temperature: 0.900000 Total energy: -203.864781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.864781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.864781 (E_RNA) where: Base-Base interactions energy: -135.291 where: short stacking energy: -56.504 Base-Backbone interact. energy: -0.627 local terms energy: -67.947003 where: bonds (distance) C4'-P energy: -15.650 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -7.247 tors. eta vs tors. theta energy: -15.851 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: 2, replica: 1 ===================================== Write number: 64 Temperature: 0.950000 Total energy: -194.250848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.250848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.250848 (E_RNA) where: Base-Base interactions energy: -124.781 where: short stacking energy: -50.960 Base-Backbone interact. energy: -0.100 local terms energy: -69.369158 where: bonds (distance) C4'-P energy: -16.151 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -13.509 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -17.639 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: 3, replica: 6 ===================================== Write number: 64 Temperature: 1.000000 Total energy: -187.716999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.716999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.716999 (E_RNA) where: Base-Base interactions energy: -118.142 where: short stacking energy: -51.626 Base-Backbone interact. energy: -0.008 local terms energy: -69.566719 where: bonds (distance) C4'-P energy: -16.312 bonds (distance) P-C4' energy: -15.352 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -9.541 tors. eta vs tors. theta energy: -14.791 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: 10 ===================================== Write number: 64 Temperature: 1.050000 Total energy: -174.997772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.997772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.997772 (E_RNA) where: Base-Base interactions energy: -116.427 where: short stacking energy: -43.866 Base-Backbone interact. energy: 2.956 local terms energy: -61.526829 where: bonds (distance) C4'-P energy: -15.595 bonds (distance) P-C4' energy: -11.053 flat angles C4'-P-C4' energy: -12.180 flat angles P-C4'-P energy: -10.341 tors. eta vs tors. theta energy: -12.358 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: 2 ===================================== Write number: 64 Temperature: 1.100000 Total energy: -160.316873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.316873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.316873 (E_RNA) where: Base-Base interactions energy: -97.795 where: short stacking energy: -46.298 Base-Backbone interact. energy: -0.053 local terms energy: -62.468004 where: bonds (distance) C4'-P energy: -13.904 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -9.072 tors. eta vs tors. theta energy: -9.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 64 Temperature: 1.150000 Total energy: -175.110847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.110847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.110847 (E_RNA) where: Base-Base interactions energy: -112.844 where: short stacking energy: -49.640 Base-Backbone interact. energy: -0.220 local terms energy: -62.046738 where: bonds (distance) C4'-P energy: -13.303 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -11.226 flat angles P-C4'-P energy: -10.861 tors. eta vs tors. theta energy: -13.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 64 Temperature: 1.200000 Total energy: -89.112568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.112568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.112568 (E_RNA) where: Base-Base interactions energy: -34.346 where: short stacking energy: -34.346 Base-Backbone interact. energy: -0.243 local terms energy: -54.523004 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -13.482 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -8.152 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: 7 ===================================== Write number: 64 Temperature: 1.250000 Total energy: -85.244493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.244493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.244493 (E_RNA) where: Base-Base interactions energy: -34.997 where: short stacking energy: -34.997 Base-Backbone interact. energy: -0.062 local terms energy: -50.184960 where: bonds (distance) C4'-P energy: -13.251 bonds (distance) P-C4' energy: -7.404 flat angles C4'-P-C4' energy: -14.097 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -5.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 64 Temperature: 1.300000 Total energy: -76.125473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.125473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.125473 (E_RNA) where: Base-Base interactions energy: -36.566 where: short stacking energy: -36.666 Base-Backbone interact. energy: -0.187 local terms energy: -39.372978 where: bonds (distance) C4'-P energy: -12.345 bonds (distance) P-C4' energy: -10.500 flat angles C4'-P-C4' energy: -10.949 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -1.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 64 Temperature: 1.350000 Total energy: -72.279655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.279655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.279655 (E_RNA) where: Base-Base interactions energy: -33.943 where: short stacking energy: -33.943 Base-Backbone interact. energy: -0.099 local terms energy: -38.237933 where: bonds (distance) C4'-P energy: -8.612 bonds (distance) P-C4' energy: -12.411 flat angles C4'-P-C4' energy: -10.109 flat angles P-C4'-P energy: -5.238 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 65 Temperature: 0.900000 Total energy: -219.000365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.000365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.000365 (E_RNA) where: Base-Base interactions energy: -146.816 where: short stacking energy: -68.114 Base-Backbone interact. energy: -0.021 local terms energy: -72.163015 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -15.570 flat angles P-C4'-P energy: -10.983 tors. eta vs tors. theta energy: -18.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 65 Temperature: 0.950000 Total energy: -186.206529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.206529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.206529 (E_RNA) where: Base-Base interactions energy: -123.049 where: short stacking energy: -56.168 Base-Backbone interact. energy: 0.922 local terms energy: -64.079160 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -12.470 flat angles C4'-P-C4' energy: -16.056 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -13.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 65 Temperature: 1.000000 Total energy: -175.006567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.006567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.006567 (E_RNA) where: Base-Base interactions energy: -108.391 where: short stacking energy: -55.459 Base-Backbone interact. energy: -0.101 local terms energy: -66.513869 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -14.945 flat angles C4'-P-C4' energy: -12.601 flat angles P-C4'-P energy: -11.790 tors. eta vs tors. theta energy: -14.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 65 Temperature: 1.050000 Total energy: -177.030029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.030029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.030029 (E_RNA) where: Base-Base interactions energy: -108.896 where: short stacking energy: -53.055 Base-Backbone interact. energy: -3.446 local terms energy: -64.688041 where: bonds (distance) C4'-P energy: -10.583 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -16.462 flat angles P-C4'-P energy: -9.660 tors. eta vs tors. theta energy: -13.590 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: 10 ===================================== Write number: 65 Temperature: 1.100000 Total energy: -188.433362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.433362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.433362 (E_RNA) where: Base-Base interactions energy: -123.462 where: short stacking energy: -55.760 Base-Backbone interact. energy: -0.909 local terms energy: -64.061895 where: bonds (distance) C4'-P energy: -15.256 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -9.457 flat angles P-C4'-P energy: -11.628 tors. eta vs tors. theta energy: -13.981 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: 3 ===================================== Write number: 65 Temperature: 1.150000 Total energy: -159.628979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.628979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.628979 (E_RNA) where: Base-Base interactions energy: -100.609 where: short stacking energy: -46.003 Base-Backbone interact. energy: -0.020 local terms energy: -58.999325 where: bonds (distance) C4'-P energy: -7.995 bonds (distance) P-C4' energy: -16.417 flat angles C4'-P-C4' energy: -14.518 flat angles P-C4'-P energy: -8.323 tors. eta vs tors. theta energy: -11.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 65 Temperature: 1.200000 Total energy: -94.410806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.410806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.410806 (E_RNA) where: Base-Base interactions energy: -36.335 where: short stacking energy: -36.335 Base-Backbone interact. energy: -0.245 local terms energy: -57.831209 where: bonds (distance) C4'-P energy: -14.507 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -11.534 flat angles P-C4'-P energy: -7.898 tors. eta vs tors. theta energy: -8.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 65 Temperature: 1.250000 Total energy: -90.751994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.751994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.751994 (E_RNA) where: Base-Base interactions energy: -38.213 where: short stacking energy: -38.110 Base-Backbone interact. energy: -0.000 local terms energy: -52.539006 where: bonds (distance) C4'-P energy: -7.494 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -14.491 flat angles P-C4'-P energy: -7.264 tors. eta vs tors. theta energy: -10.145 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: 7 ===================================== Write number: 65 Temperature: 1.300000 Total energy: -77.470750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.470750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.470750 (E_RNA) where: Base-Base interactions energy: -28.630 where: short stacking energy: -24.744 Base-Backbone interact. energy: -0.139 local terms energy: -48.701790 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -10.462 flat angles C4'-P-C4' energy: -15.098 flat angles P-C4'-P energy: -6.759 tors. eta vs tors. theta energy: -2.418 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 65 Temperature: 1.350000 Total energy: -69.991577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.991577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.991577 (E_RNA) where: Base-Base interactions energy: -30.094 where: short stacking energy: -30.548 Base-Backbone interact. energy: 0.660 local terms energy: -40.557371 where: bonds (distance) C4'-P energy: -11.894 bonds (distance) P-C4' energy: -11.076 flat angles C4'-P-C4' energy: -8.979 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -0.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 66 Temperature: 0.900000 Total energy: -214.124338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.124338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.124338 (E_RNA) where: Base-Base interactions energy: -141.285 where: short stacking energy: -59.104 Base-Backbone interact. energy: 0.562 local terms energy: -73.401286 where: bonds (distance) C4'-P energy: -15.261 bonds (distance) P-C4' energy: -14.679 flat angles C4'-P-C4' energy: -15.020 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -18.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 66 Temperature: 0.950000 Total energy: -195.956149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.956149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.956149 (E_RNA) where: Base-Base interactions energy: -127.442 where: short stacking energy: -56.880 Base-Backbone interact. energy: -0.183 local terms energy: -68.330950 where: bonds (distance) C4'-P energy: -14.230 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -10.890 tors. eta vs tors. theta energy: -14.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 66 Temperature: 1.000000 Total energy: -187.370539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.370539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.370539 (E_RNA) where: Base-Base interactions energy: -122.158 where: short stacking energy: -50.841 Base-Backbone interact. energy: -0.178 local terms energy: -65.035185 where: bonds (distance) C4'-P energy: -10.785 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -16.643 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -16.140 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: 6 ===================================== Write number: 66 Temperature: 1.050000 Total energy: -171.743131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.743131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.743131 (E_RNA) where: Base-Base interactions energy: -111.840 where: short stacking energy: -42.308 Base-Backbone interact. energy: 0.247 local terms energy: -60.150214 where: bonds (distance) C4'-P energy: -12.180 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -12.271 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -11.885 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: 3 ===================================== Write number: 66 Temperature: 1.100000 Total energy: -168.773598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.773598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.773598 (E_RNA) where: Base-Base interactions energy: -108.995 where: short stacking energy: -48.620 Base-Backbone interact. energy: -0.285 local terms energy: -59.494476 where: bonds (distance) C4'-P energy: -12.740 bonds (distance) P-C4' energy: -14.995 flat angles C4'-P-C4' energy: -14.071 flat angles P-C4'-P energy: -7.224 tors. eta vs tors. theta energy: -10.465 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 66 Temperature: 1.150000 Total energy: -168.166188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.166188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.166188 (E_RNA) where: Base-Base interactions energy: -101.543 where: short stacking energy: -48.492 Base-Backbone interact. energy: -0.068 local terms energy: -66.555319 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -13.975 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -17.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 66 Temperature: 1.200000 Total energy: -81.839385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.839385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.839385 (E_RNA) where: Base-Base interactions energy: -27.943 where: short stacking energy: -24.665 Base-Backbone interact. energy: -0.235 local terms energy: -53.660936 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -11.228 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: -6.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 66 Temperature: 1.250000 Total energy: -79.388235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.388235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.388235 (E_RNA) where: Base-Base interactions energy: -36.081 where: short stacking energy: -27.535 Base-Backbone interact. energy: -0.181 local terms energy: -43.126691 where: bonds (distance) C4'-P energy: -6.248 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -9.222 flat angles P-C4'-P energy: -7.583 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: 9, replica: 8 ===================================== Write number: 66 Temperature: 1.300000 Total energy: -88.733095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.733095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.733095 (E_RNA) where: Base-Base interactions energy: -36.271 where: short stacking energy: -36.266 Base-Backbone interact. energy: -1.187 local terms energy: -51.274593 where: bonds (distance) C4'-P energy: -9.054 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -12.885 flat angles P-C4'-P energy: -8.324 tors. eta vs tors. theta energy: -8.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 66 Temperature: 1.350000 Total energy: -75.598059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.598059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.598059 (E_RNA) where: Base-Base interactions energy: -27.037 where: short stacking energy: -27.037 Base-Backbone interact. energy: -0.215 local terms energy: -48.346573 where: bonds (distance) C4'-P energy: -11.526 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -11.867 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -4.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 67 Temperature: 0.900000 Total energy: -208.050921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.050921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.050921 (E_RNA) where: Base-Base interactions energy: -136.579 where: short stacking energy: -62.720 Base-Backbone interact. energy: -0.000 local terms energy: -71.471701 where: bonds (distance) C4'-P energy: -15.669 bonds (distance) P-C4' energy: -11.605 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -12.471 tors. eta vs tors. theta energy: -18.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 67 Temperature: 0.950000 Total energy: -191.862929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.862929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.862929 (E_RNA) where: Base-Base interactions energy: -123.539 where: short stacking energy: -53.801 Base-Backbone interact. energy: -0.023 local terms energy: -68.300705 where: bonds (distance) C4'-P energy: -11.993 bonds (distance) P-C4' energy: -15.298 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -7.597 tors. eta vs tors. theta energy: -19.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 67 Temperature: 1.000000 Total energy: -183.458772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.458772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.458772 (E_RNA) where: Base-Base interactions energy: -117.721 where: short stacking energy: -43.406 Base-Backbone interact. energy: -0.039 local terms energy: -65.699222 where: bonds (distance) C4'-P energy: -13.418 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -12.173 flat angles P-C4'-P energy: -10.212 tors. eta vs tors. theta energy: -15.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 67 Temperature: 1.050000 Total energy: -183.179482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.179482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.179482 (E_RNA) where: Base-Base interactions energy: -123.447 where: short stacking energy: -51.674 Base-Backbone interact. energy: -0.068 local terms energy: -59.664767 where: bonds (distance) C4'-P energy: -12.876 bonds (distance) P-C4' energy: -9.194 flat angles C4'-P-C4' energy: -15.236 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -16.006 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: 67 Temperature: 1.100000 Total energy: -171.901444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.901444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.901444 (E_RNA) where: Base-Base interactions energy: -106.060 where: short stacking energy: -46.678 Base-Backbone interact. energy: 1.675 local terms energy: -67.516713 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -16.318 flat angles C4'-P-C4' energy: -11.139 flat angles P-C4'-P energy: -10.638 tors. eta vs tors. theta energy: -14.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 67 Temperature: 1.150000 Total energy: -161.571135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.571135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.571135 (E_RNA) where: Base-Base interactions energy: -104.831 where: short stacking energy: -45.172 Base-Backbone interact. energy: -0.072 local terms energy: -56.668075 where: bonds (distance) C4'-P energy: -14.483 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -12.366 flat angles P-C4'-P energy: -2.369 tors. eta vs tors. theta energy: -12.428 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: 5 ===================================== Write number: 67 Temperature: 1.200000 Total energy: -82.529078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.529078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.529078 (E_RNA) where: Base-Base interactions energy: -33.505 where: short stacking energy: -23.520 Base-Backbone interact. energy: -0.002 local terms energy: -49.021719 where: bonds (distance) C4'-P energy: -11.865 bonds (distance) P-C4' energy: -11.269 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -6.830 tors. eta vs tors. theta energy: -6.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 67 Temperature: 1.250000 Total energy: -80.031025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.031025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.031025 (E_RNA) where: Base-Base interactions energy: -32.918 where: short stacking energy: -32.918 Base-Backbone interact. energy: -0.066 local terms energy: -47.046966 where: bonds (distance) C4'-P energy: -9.410 bonds (distance) P-C4' energy: -11.467 flat angles C4'-P-C4' energy: -12.701 flat angles P-C4'-P energy: -2.634 tors. eta vs tors. theta energy: -10.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 67 Temperature: 1.300000 Total energy: -74.691191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.691191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.691191 (E_RNA) where: Base-Base interactions energy: -26.504 where: short stacking energy: -26.504 Base-Backbone interact. energy: -0.004 local terms energy: -48.183320 where: bonds (distance) C4'-P energy: -11.141 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -11.365 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -1.878 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: 7 ===================================== Write number: 67 Temperature: 1.350000 Total energy: -66.649584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.649584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.649584 (E_RNA) where: Base-Base interactions energy: -22.164 where: short stacking energy: -18.052 Base-Backbone interact. energy: -0.134 local terms energy: -44.351778 where: bonds (distance) C4'-P energy: -10.836 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -12.648 flat angles P-C4'-P energy: -4.394 tors. eta vs tors. theta energy: -1.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 68 Temperature: 0.900000 Total energy: -190.496961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.496961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.496961 (E_RNA) where: Base-Base interactions energy: -125.124 where: short stacking energy: -57.493 Base-Backbone interact. energy: -0.002 local terms energy: -65.371101 where: bonds (distance) C4'-P energy: -14.709 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -5.845 tors. eta vs tors. theta energy: -15.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 68 Temperature: 0.950000 Total energy: -213.634409 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.634409 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.634409 (E_RNA) where: Base-Base interactions energy: -143.327 where: short stacking energy: -67.794 Base-Backbone interact. energy: 0.174 local terms energy: -70.481634 where: bonds (distance) C4'-P energy: -13.025 bonds (distance) P-C4' energy: -12.742 flat angles C4'-P-C4' energy: -15.468 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -19.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 68 Temperature: 1.000000 Total energy: -180.744105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.744105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.744105 (E_RNA) where: Base-Base interactions energy: -113.761 where: short stacking energy: -59.889 Base-Backbone interact. energy: -0.184 local terms energy: -66.799060 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -14.749 flat angles P-C4'-P energy: -9.942 tors. eta vs tors. theta energy: -16.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 68 Temperature: 1.050000 Total energy: -175.633964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.633964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.633964 (E_RNA) where: Base-Base interactions energy: -115.898 where: short stacking energy: -57.695 Base-Backbone interact. energy: -0.401 local terms energy: -59.334808 where: bonds (distance) C4'-P energy: -11.298 bonds (distance) P-C4' energy: -12.020 flat angles C4'-P-C4' energy: -11.982 flat angles P-C4'-P energy: -10.268 tors. eta vs tors. theta energy: -13.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 68 Temperature: 1.100000 Total energy: -174.957229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.957229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.957229 (E_RNA) where: Base-Base interactions energy: -110.735 where: short stacking energy: -57.809 Base-Backbone interact. energy: -0.737 local terms energy: -63.485020 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -15.438 flat angles C4'-P-C4' energy: -9.855 flat angles P-C4'-P energy: -10.055 tors. eta vs tors. theta energy: -17.062 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 68 Temperature: 1.150000 Total energy: -170.521672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.521672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.521672 (E_RNA) where: Base-Base interactions energy: -107.568 where: short stacking energy: -46.883 Base-Backbone interact. energy: -0.030 local terms energy: -62.923261 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -14.871 flat angles P-C4'-P energy: -7.073 tors. eta vs tors. theta energy: -10.975 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: 4 ===================================== Write number: 68 Temperature: 1.200000 Total energy: -90.250124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.250124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.250124 (E_RNA) where: Base-Base interactions energy: -36.100 where: short stacking energy: -36.100 Base-Backbone interact. energy: -0.026 local terms energy: -54.123769 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -15.157 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -7.689 tors. eta vs tors. theta energy: -5.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 68 Temperature: 1.250000 Total energy: -87.384791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.384791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.384791 (E_RNA) where: Base-Base interactions energy: -34.868 where: short stacking energy: -34.868 Base-Backbone interact. energy: 0.213 local terms energy: -52.729620 where: bonds (distance) C4'-P energy: -13.538 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -2.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 68 Temperature: 1.300000 Total energy: -75.126089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.126089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.126089 (E_RNA) where: Base-Base interactions energy: -29.995 where: short stacking energy: -17.480 Base-Backbone interact. energy: -0.044 local terms energy: -45.086820 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -12.775 flat angles C4'-P-C4' energy: -15.453 flat angles P-C4'-P energy: -3.167 tors. eta vs tors. theta energy: -0.968 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: 10, replica: 8 ===================================== Write number: 68 Temperature: 1.350000 Total energy: -78.570694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.570694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.570694 (E_RNA) where: Base-Base interactions energy: -28.644 where: short stacking energy: -25.440 Base-Backbone interact. energy: -0.381 local terms energy: -49.545533 where: bonds (distance) C4'-P energy: -12.263 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -11.888 flat angles P-C4'-P energy: -9.389 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: 1, replica: 2 ===================================== Write number: 69 Temperature: 0.900000 Total energy: -189.086026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.086026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.086026 (E_RNA) where: Base-Base interactions energy: -124.453 where: short stacking energy: -53.323 Base-Backbone interact. energy: -0.006 local terms energy: -64.627234 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -14.966 flat angles C4'-P-C4' energy: -16.600 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -13.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 69 Temperature: 0.950000 Total energy: -207.349273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.349273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.349273 (E_RNA) where: Base-Base interactions energy: -133.920 where: short stacking energy: -64.011 Base-Backbone interact. energy: -0.028 local terms energy: -73.401189 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -14.102 flat angles C4'-P-C4' energy: -16.231 flat angles P-C4'-P energy: -12.144 tors. eta vs tors. theta energy: -18.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 69 Temperature: 1.000000 Total energy: -178.677725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.677725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.677725 (E_RNA) where: Base-Base interactions energy: -114.683 where: short stacking energy: -46.714 Base-Backbone interact. energy: -0.091 local terms energy: -63.904342 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -14.031 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -6.469 tors. eta vs tors. theta energy: -15.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 69 Temperature: 1.050000 Total energy: -185.317094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.317094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.317094 (E_RNA) where: Base-Base interactions energy: -111.528 where: short stacking energy: -53.561 Base-Backbone interact. energy: -1.017 local terms energy: -72.771978 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -15.873 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -16.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 69 Temperature: 1.100000 Total energy: -167.070362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.070362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.070362 (E_RNA) where: Base-Base interactions energy: -111.503 where: short stacking energy: -47.851 Base-Backbone interact. energy: -0.024 local terms energy: -55.543638 where: bonds (distance) C4'-P energy: -10.557 bonds (distance) P-C4' energy: -7.691 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -9.782 tors. eta vs tors. theta energy: -14.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 69 Temperature: 1.150000 Total energy: -157.240461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.240461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.240461 (E_RNA) where: Base-Base interactions energy: -102.502 where: short stacking energy: -43.700 Base-Backbone interact. energy: -0.042 local terms energy: -54.696649 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -14.457 flat angles P-C4'-P energy: -3.304 tors. eta vs tors. theta energy: -9.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 69 Temperature: 1.200000 Total energy: -90.547224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.547224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.547224 (E_RNA) where: Base-Base interactions energy: -40.579 where: short stacking energy: -34.369 Base-Backbone interact. energy: -0.012 local terms energy: -49.956944 where: bonds (distance) C4'-P energy: -15.459 bonds (distance) P-C4' energy: -10.664 flat angles C4'-P-C4' energy: -8.898 flat angles P-C4'-P energy: -12.150 tors. eta vs tors. theta energy: -2.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 69 Temperature: 1.250000 Total energy: -78.925572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.925572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.925572 (E_RNA) where: Base-Base interactions energy: -30.305 where: short stacking energy: -30.250 Base-Backbone interact. energy: 0.175 local terms energy: -48.795034 where: bonds (distance) C4'-P energy: -8.876 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -14.156 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -5.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 69 Temperature: 1.300000 Total energy: -80.623187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.623187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.623187 (E_RNA) where: Base-Base interactions energy: -31.260 where: short stacking energy: -27.647 Base-Backbone interact. energy: -0.174 local terms energy: -49.189522 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -10.411 flat angles P-C4'-P energy: -5.584 tors. eta vs tors. theta energy: -6.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 69 Temperature: 1.350000 Total energy: -62.630041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -62.630041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -62.630041 (E_RNA) where: Base-Base interactions energy: -24.816 where: short stacking energy: -22.194 Base-Backbone interact. energy: -0.168 local terms energy: -37.645474 where: bonds (distance) C4'-P energy: -9.662 bonds (distance) P-C4' energy: -9.794 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -4.472 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: 1, replica: 9 ===================================== Write number: 70 Temperature: 0.900000 Total energy: -207.870022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.870022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.870022 (E_RNA) where: Base-Base interactions energy: -131.192 where: short stacking energy: -55.419 Base-Backbone interact. energy: -0.058 local terms energy: -76.619614 where: bonds (distance) C4'-P energy: -16.266 bonds (distance) P-C4' energy: -16.216 flat angles C4'-P-C4' energy: -14.909 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -19.483 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: 2 ===================================== Write number: 70 Temperature: 0.950000 Total energy: -183.425966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.425966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.425966 (E_RNA) where: Base-Base interactions energy: -117.616 where: short stacking energy: -59.477 Base-Backbone interact. energy: -0.708 local terms energy: -65.101139 where: bonds (distance) C4'-P energy: -13.704 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -14.449 flat angles P-C4'-P energy: -8.604 tors. eta vs tors. theta energy: -15.031 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 70 Temperature: 1.000000 Total energy: -178.883675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.883675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.883675 (E_RNA) where: Base-Base interactions energy: -108.808 where: short stacking energy: -58.073 Base-Backbone interact. energy: -0.005 local terms energy: -70.070409 where: bonds (distance) C4'-P energy: -13.676 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -13.766 flat angles P-C4'-P energy: -10.459 tors. eta vs tors. theta energy: -16.850 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: 6 ===================================== Write number: 70 Temperature: 1.050000 Total energy: -183.760101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.760101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.760101 (E_RNA) where: Base-Base interactions energy: -113.238 where: short stacking energy: -49.611 Base-Backbone interact. energy: -0.002 local terms energy: -70.519749 where: bonds (distance) C4'-P energy: -13.115 bonds (distance) P-C4' energy: -14.772 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -11.933 tors. eta vs tors. theta energy: -16.600 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 70 Temperature: 1.100000 Total energy: -175.514223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.514223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.514223 (E_RNA) where: Base-Base interactions energy: -114.161 where: short stacking energy: -48.066 Base-Backbone interact. energy: -0.011 local terms energy: -61.342516 where: bonds (distance) C4'-P energy: -11.696 bonds (distance) P-C4' energy: -11.573 flat angles C4'-P-C4' energy: -14.564 flat angles P-C4'-P energy: -9.396 tors. eta vs tors. theta energy: -14.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 70 Temperature: 1.150000 Total energy: -164.113089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.113089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.113089 (E_RNA) where: Base-Base interactions energy: -112.302 where: short stacking energy: -51.084 Base-Backbone interact. energy: 0.445 local terms energy: -52.256605 where: bonds (distance) C4'-P energy: -11.559 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -11.159 flat angles P-C4'-P energy: -6.542 tors. eta vs tors. theta energy: -11.914 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: 5 ===================================== Write number: 70 Temperature: 1.200000 Total energy: -88.685055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.685055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.685055 (E_RNA) where: Base-Base interactions energy: -37.512 where: short stacking energy: -37.512 Base-Backbone interact. energy: -0.031 local terms energy: -51.141924 where: bonds (distance) C4'-P energy: -12.752 bonds (distance) P-C4' energy: -12.872 flat angles C4'-P-C4' energy: -10.394 flat angles P-C4'-P energy: -6.829 tors. eta vs tors. theta energy: -8.296 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: 4 ===================================== Write number: 70 Temperature: 1.250000 Total energy: -88.814574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.814574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.814574 (E_RNA) where: Base-Base interactions energy: -39.554 where: short stacking energy: -27.080 Base-Backbone interact. energy: -0.212 local terms energy: -49.048974 where: bonds (distance) C4'-P energy: -10.627 bonds (distance) P-C4' energy: -12.896 flat angles C4'-P-C4' energy: -10.941 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -7.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 70 Temperature: 1.300000 Total energy: -78.236415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.236415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.236415 (E_RNA) where: Base-Base interactions energy: -26.961 where: short stacking energy: -24.891 Base-Backbone interact. energy: -0.143 local terms energy: -51.132290 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -12.814 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 70 Temperature: 1.350000 Total energy: -101.343068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.343068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.343068 (E_RNA) where: Base-Base interactions energy: -53.958 where: short stacking energy: -31.158 Base-Backbone interact. energy: -0.139 local terms energy: -47.246277 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -7.197 flat angles P-C4'-P energy: -5.906 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: 1, replica: 9 ===================================== Write number: 71 Temperature: 0.900000 Total energy: -200.798435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.798435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.798435 (E_RNA) where: Base-Base interactions energy: -132.778 where: short stacking energy: -60.968 Base-Backbone interact. energy: 0.329 local terms energy: -68.349995 where: bonds (distance) C4'-P energy: -11.671 bonds (distance) P-C4' energy: -13.282 flat angles C4'-P-C4' energy: -15.435 flat angles P-C4'-P energy: -11.568 tors. eta vs tors. theta energy: -16.394 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: 10 ===================================== Write number: 71 Temperature: 0.950000 Total energy: -195.821534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.821534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.821534 (E_RNA) where: Base-Base interactions energy: -126.357 where: short stacking energy: -61.431 Base-Backbone interact. energy: -0.002 local terms energy: -69.462757 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -14.933 flat angles C4'-P-C4' energy: -12.589 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -20.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 71 Temperature: 1.000000 Total energy: -179.722776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.722776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.722776 (E_RNA) where: Base-Base interactions energy: -111.455 where: short stacking energy: -49.398 Base-Backbone interact. energy: -0.052 local terms energy: -68.215379 where: bonds (distance) C4'-P energy: -13.136 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -15.525 flat angles P-C4'-P energy: -7.338 tors. eta vs tors. theta energy: -15.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 71 Temperature: 1.050000 Total energy: -173.111964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.111964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.111964 (E_RNA) where: Base-Base interactions energy: -110.570 where: short stacking energy: -48.797 Base-Backbone interact. energy: 0.105 local terms energy: -62.646780 where: bonds (distance) C4'-P energy: -15.280 bonds (distance) P-C4' energy: -13.321 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -8.255 tors. eta vs tors. theta energy: -14.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 71 Temperature: 1.100000 Total energy: -178.265246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.265246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.265246 (E_RNA) where: Base-Base interactions energy: -117.743 where: short stacking energy: -57.868 Base-Backbone interact. energy: -0.094 local terms energy: -60.428722 where: bonds (distance) C4'-P energy: -11.186 bonds (distance) P-C4' energy: -11.668 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -13.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 71 Temperature: 1.150000 Total energy: -173.233057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.233057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.233057 (E_RNA) where: Base-Base interactions energy: -108.117 where: short stacking energy: -55.050 Base-Backbone interact. energy: -0.056 local terms energy: -65.060281 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -11.394 flat angles P-C4'-P energy: -8.778 tors. eta vs tors. theta energy: -16.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 71 Temperature: 1.200000 Total energy: -85.901443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.901443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.901443 (E_RNA) where: Base-Base interactions energy: -32.556 where: short stacking energy: -26.358 Base-Backbone interact. energy: -0.132 local terms energy: -53.213487 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -12.528 flat angles C4'-P-C4' energy: -9.573 flat angles P-C4'-P energy: -10.685 tors. eta vs tors. theta energy: -5.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 71 Temperature: 1.250000 Total energy: -85.308147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.308147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.308147 (E_RNA) where: Base-Base interactions energy: -33.271 where: short stacking energy: -33.271 Base-Backbone interact. energy: -0.013 local terms energy: -52.024230 where: bonds (distance) C4'-P energy: -11.762 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -11.927 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -9.279 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: 9, replica: 8 ===================================== Write number: 71 Temperature: 1.300000 Total energy: -85.199830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.199830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.199830 (E_RNA) where: Base-Base interactions energy: -38.272 where: short stacking energy: -28.470 Base-Backbone interact. energy: -0.032 local terms energy: -46.895889 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -12.169 flat angles C4'-P-C4' energy: -13.963 flat angles P-C4'-P energy: -2.742 tors. eta vs tors. theta energy: -2.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 71 Temperature: 1.350000 Total energy: -70.793268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.793268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.793268 (E_RNA) where: Base-Base interactions energy: -21.153 where: short stacking energy: -21.153 Base-Backbone interact. energy: 1.257 local terms energy: -50.896642 where: bonds (distance) C4'-P energy: -10.922 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -10.376 flat angles P-C4'-P energy: -9.273 tors. eta vs tors. theta energy: -6.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 72 Temperature: 0.900000 Total energy: -209.753260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.753260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.753260 (E_RNA) where: Base-Base interactions energy: -137.408 where: short stacking energy: -60.238 Base-Backbone interact. energy: -0.052 local terms energy: -72.293300 where: bonds (distance) C4'-P energy: -14.514 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -14.399 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -20.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 72 Temperature: 0.950000 Total energy: -184.227642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.227642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.227642 (E_RNA) where: Base-Base interactions energy: -124.973 where: short stacking energy: -57.437 Base-Backbone interact. energy: -0.045 local terms energy: -59.210004 where: bonds (distance) C4'-P energy: -9.091 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -11.442 flat angles P-C4'-P energy: -8.010 tors. eta vs tors. theta energy: -17.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 72 Temperature: 1.000000 Total energy: -179.041885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.041885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.041885 (E_RNA) where: Base-Base interactions energy: -123.054 where: short stacking energy: -54.231 Base-Backbone interact. energy: -0.192 local terms energy: -55.795569 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -12.656 flat angles C4'-P-C4' energy: -10.609 flat angles P-C4'-P energy: -5.253 tors. eta vs tors. theta energy: -15.516 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: 2 ===================================== Write number: 72 Temperature: 1.050000 Total energy: -175.598942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.598942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.598942 (E_RNA) where: Base-Base interactions energy: -113.005 where: short stacking energy: -55.191 Base-Backbone interact. energy: -0.050 local terms energy: -62.543881 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -15.435 flat angles C4'-P-C4' energy: -13.347 flat angles P-C4'-P energy: -6.374 tors. eta vs tors. theta energy: -16.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 72 Temperature: 1.100000 Total energy: -164.470624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.470624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.470624 (E_RNA) where: Base-Base interactions energy: -112.545 where: short stacking energy: -48.983 Base-Backbone interact. energy: -0.155 local terms energy: -51.771115 where: bonds (distance) C4'-P energy: -7.498 bonds (distance) P-C4' energy: -11.407 flat angles C4'-P-C4' energy: -12.018 flat angles P-C4'-P energy: -10.297 tors. eta vs tors. theta energy: -10.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 72 Temperature: 1.150000 Total energy: -163.829682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.829682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.829682 (E_RNA) where: Base-Base interactions energy: -97.428 where: short stacking energy: -54.114 Base-Backbone interact. energy: -0.042 local terms energy: -66.359854 where: bonds (distance) C4'-P energy: -15.625 bonds (distance) P-C4' energy: -11.874 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -9.193 tors. eta vs tors. theta energy: -17.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 72 Temperature: 1.200000 Total energy: -79.900342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.900342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.900342 (E_RNA) where: Base-Base interactions energy: -28.036 where: short stacking energy: -28.036 Base-Backbone interact. energy: -0.170 local terms energy: -51.694229 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -13.029 flat angles P-C4'-P energy: -6.794 tors. eta vs tors. theta energy: -6.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 72 Temperature: 1.250000 Total energy: -95.332353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.332353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.332353 (E_RNA) where: Base-Base interactions energy: -39.305 where: short stacking energy: -39.305 Base-Backbone interact. energy: -0.000 local terms energy: -56.027303 where: bonds (distance) C4'-P energy: -14.917 bonds (distance) P-C4' energy: -12.055 flat angles C4'-P-C4' energy: -16.248 flat angles P-C4'-P energy: -1.843 tors. eta vs tors. theta energy: -10.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 72 Temperature: 1.300000 Total energy: -85.679498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.679498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.679498 (E_RNA) where: Base-Base interactions energy: -37.002 where: short stacking energy: -27.417 Base-Backbone interact. energy: -0.167 local terms energy: -48.510504 where: bonds (distance) C4'-P energy: -13.095 bonds (distance) P-C4' energy: -10.478 flat angles C4'-P-C4' energy: -10.396 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -5.139 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 72 Temperature: 1.350000 Total energy: -69.028208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.028208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.028208 (E_RNA) where: Base-Base interactions energy: -21.998 where: short stacking energy: -15.235 Base-Backbone interact. energy: 0.848 local terms energy: -47.878542 where: bonds (distance) C4'-P energy: -13.576 bonds (distance) P-C4' energy: -12.898 flat angles C4'-P-C4' energy: -11.820 flat angles P-C4'-P energy: -8.538 tors. eta vs tors. theta energy: -1.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 73 Temperature: 0.900000 Total energy: -212.302181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.302181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.302181 (E_RNA) where: Base-Base interactions energy: -137.714 where: short stacking energy: -69.608 Base-Backbone interact. energy: -0.001 local terms energy: -74.587021 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -15.821 flat angles C4'-P-C4' energy: -16.546 flat angles P-C4'-P energy: -7.287 tors. eta vs tors. theta energy: -21.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 73 Temperature: 0.950000 Total energy: -181.720504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.720504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.720504 (E_RNA) where: Base-Base interactions energy: -113.915 where: short stacking energy: -56.738 Base-Backbone interact. energy: -0.095 local terms energy: -67.710265 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -17.249 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -12.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 73 Temperature: 1.000000 Total energy: -191.466574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.466574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.466574 (E_RNA) where: Base-Base interactions energy: -127.617 where: short stacking energy: -57.354 Base-Backbone interact. energy: -0.135 local terms energy: -63.715010 where: bonds (distance) C4'-P energy: -12.268 bonds (distance) P-C4' energy: -13.322 flat angles C4'-P-C4' energy: -12.213 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -17.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 73 Temperature: 1.050000 Total energy: -167.238989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.238989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.238989 (E_RNA) where: Base-Base interactions energy: -103.142 where: short stacking energy: -44.753 Base-Backbone interact. energy: -0.095 local terms energy: -64.001975 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -10.568 tors. eta vs tors. theta energy: -14.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 73 Temperature: 1.100000 Total energy: -173.260140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.260140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.260140 (E_RNA) where: Base-Base interactions energy: -112.175 where: short stacking energy: -60.708 Base-Backbone interact. energy: 0.168 local terms energy: -61.252695 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -9.931 flat angles C4'-P-C4' energy: -13.966 flat angles P-C4'-P energy: -8.910 tors. eta vs tors. theta energy: -15.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 73 Temperature: 1.150000 Total energy: -178.613640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.613640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.613640 (E_RNA) where: Base-Base interactions energy: -112.438 where: short stacking energy: -52.791 Base-Backbone interact. energy: -0.007 local terms energy: -66.168495 where: bonds (distance) C4'-P energy: -14.714 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -5.347 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 73 Temperature: 1.200000 Total energy: -92.920788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.920788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.920788 (E_RNA) where: Base-Base interactions energy: -40.585 where: short stacking energy: -40.585 Base-Backbone interact. energy: -0.023 local terms energy: -52.313021 where: bonds (distance) C4'-P energy: -8.488 bonds (distance) P-C4' energy: -14.485 flat angles C4'-P-C4' energy: -12.388 flat angles P-C4'-P energy: -9.622 tors. eta vs tors. theta energy: -7.330 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: 8, replica: 4 ===================================== Write number: 73 Temperature: 1.250000 Total energy: -91.231847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.231847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.231847 (E_RNA) where: Base-Base interactions energy: -38.163 where: short stacking energy: -32.478 Base-Backbone interact. energy: -0.148 local terms energy: -52.921122 where: bonds (distance) C4'-P energy: -12.716 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -10.490 flat angles P-C4'-P energy: -7.601 tors. eta vs tors. theta energy: -6.535 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 73 Temperature: 1.300000 Total energy: -67.488116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.488116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.488116 (E_RNA) where: Base-Base interactions energy: -22.150 where: short stacking energy: -20.347 Base-Backbone interact. energy: -0.204 local terms energy: -45.134106 where: bonds (distance) C4'-P energy: -9.940 bonds (distance) P-C4' energy: -13.985 flat angles C4'-P-C4' energy: -11.251 flat angles P-C4'-P energy: -5.906 tors. eta vs tors. theta energy: -4.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 73 Temperature: 1.350000 Total energy: -79.077900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.077900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.077900 (E_RNA) where: Base-Base interactions energy: -31.046 where: short stacking energy: -18.309 Base-Backbone interact. energy: -0.207 local terms energy: -47.824910 where: bonds (distance) C4'-P energy: -14.929 bonds (distance) P-C4' energy: -11.169 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -8.674 tors. eta vs tors. theta energy: -0.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 74 Temperature: 0.900000 Total energy: -206.080225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.080225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.080225 (E_RNA) where: Base-Base interactions energy: -137.463 where: short stacking energy: -60.651 Base-Backbone interact. energy: -0.003 local terms energy: -68.614189 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -16.246 flat angles C4'-P-C4' energy: -12.783 flat angles P-C4'-P energy: -9.551 tors. eta vs tors. theta energy: -17.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 74 Temperature: 0.950000 Total energy: -192.729948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.729948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.729948 (E_RNA) where: Base-Base interactions energy: -121.266 where: short stacking energy: -57.050 Base-Backbone interact. energy: -0.873 local terms energy: -70.590811 where: bonds (distance) C4'-P energy: -15.172 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -13.402 flat angles P-C4'-P energy: -9.991 tors. eta vs tors. theta energy: -17.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 74 Temperature: 1.000000 Total energy: -182.253642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.253642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.253642 (E_RNA) where: Base-Base interactions energy: -115.495 where: short stacking energy: -58.409 Base-Backbone interact. energy: -0.169 local terms energy: -66.589822 where: bonds (distance) C4'-P energy: -14.267 bonds (distance) P-C4' energy: -10.789 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -11.685 tors. eta vs tors. theta energy: -15.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 74 Temperature: 1.050000 Total energy: -179.569839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.569839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.569839 (E_RNA) where: Base-Base interactions energy: -115.728 where: short stacking energy: -58.004 Base-Backbone interact. energy: -0.050 local terms energy: -63.792187 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -13.050 flat angles P-C4'-P energy: -6.640 tors. eta vs tors. theta energy: -13.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 74 Temperature: 1.100000 Total energy: -171.602116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.602116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.602116 (E_RNA) where: Base-Base interactions energy: -106.934 where: short stacking energy: -45.306 Base-Backbone interact. energy: -0.156 local terms energy: -64.511366 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -15.273 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -8.170 tors. eta vs tors. theta energy: -12.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 74 Temperature: 1.150000 Total energy: -171.690276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.690276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.690276 (E_RNA) where: Base-Base interactions energy: -104.416 where: short stacking energy: -46.747 Base-Backbone interact. energy: -0.009 local terms energy: -67.264626 where: bonds (distance) C4'-P energy: -16.000 bonds (distance) P-C4' energy: -14.407 flat angles C4'-P-C4' energy: -12.263 flat angles P-C4'-P energy: -7.500 tors. eta vs tors. theta energy: -17.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 74 Temperature: 1.200000 Total energy: -88.102102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.102102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.102102 (E_RNA) where: Base-Base interactions energy: -48.516 where: short stacking energy: -29.066 Base-Backbone interact. energy: -0.139 local terms energy: -39.447118 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -9.939 flat angles C4'-P-C4' energy: -12.445 flat angles P-C4'-P energy: -4.763 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: 8, replica: 5 ===================================== Write number: 74 Temperature: 1.250000 Total energy: -80.259078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.259078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.259078 (E_RNA) where: Base-Base interactions energy: -28.250 where: short stacking energy: -24.670 Base-Backbone interact. energy: 0.395 local terms energy: -52.404566 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -12.271 flat angles C4'-P-C4' energy: -13.787 flat angles P-C4'-P energy: -7.097 tors. eta vs tors. theta energy: -5.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 74 Temperature: 1.300000 Total energy: -71.518656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.518656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.518656 (E_RNA) where: Base-Base interactions energy: -28.617 where: short stacking energy: -15.259 Base-Backbone interact. energy: -0.210 local terms energy: -42.691351 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -11.917 flat angles C4'-P-C4' energy: -12.447 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -0.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 74 Temperature: 1.350000 Total energy: -95.974315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.974315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.974315 (E_RNA) where: Base-Base interactions energy: -54.686 where: short stacking energy: -27.834 Base-Backbone interact. energy: -0.179 local terms energy: -41.109422 where: bonds (distance) C4'-P energy: -8.986 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -3.490 flat angles P-C4'-P energy: -8.449 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: 1, replica: 9 ===================================== Write number: 75 Temperature: 0.900000 Total energy: -212.452554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.452554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.452554 (E_RNA) where: Base-Base interactions energy: -143.028 where: short stacking energy: -65.734 Base-Backbone interact. energy: -0.165 local terms energy: -69.260169 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -15.087 flat angles P-C4'-P energy: -9.023 tors. eta vs tors. theta energy: -18.623 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: 10 ===================================== Write number: 75 Temperature: 0.950000 Total energy: -183.611869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.611869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.611869 (E_RNA) where: Base-Base interactions energy: -116.658 where: short stacking energy: -47.960 Base-Backbone interact. energy: -0.046 local terms energy: -66.908319 where: bonds (distance) C4'-P energy: -12.955 bonds (distance) P-C4' energy: -15.893 flat angles C4'-P-C4' energy: -14.107 flat angles P-C4'-P energy: -6.951 tors. eta vs tors. theta energy: -17.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 75 Temperature: 1.000000 Total energy: -184.311347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.311347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.311347 (E_RNA) where: Base-Base interactions energy: -117.450 where: short stacking energy: -50.251 Base-Backbone interact. energy: -0.653 local terms energy: -66.208208 where: bonds (distance) C4'-P energy: -13.252 bonds (distance) P-C4' energy: -14.821 flat angles C4'-P-C4' energy: -8.757 flat angles P-C4'-P energy: -11.876 tors. eta vs tors. theta energy: -17.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 75 Temperature: 1.050000 Total energy: -181.581743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.581743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.581743 (E_RNA) where: Base-Base interactions energy: -111.820 where: short stacking energy: -54.218 Base-Backbone interact. energy: -0.177 local terms energy: -69.585114 where: bonds (distance) C4'-P energy: -15.173 bonds (distance) P-C4' energy: -15.481 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -9.139 tors. eta vs tors. theta energy: -15.306 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: 2 ===================================== Write number: 75 Temperature: 1.100000 Total energy: -173.929591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.929591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.929591 (E_RNA) where: Base-Base interactions energy: -111.151 where: short stacking energy: -59.001 Base-Backbone interact. energy: -0.043 local terms energy: -62.735134 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -11.458 flat angles C4'-P-C4' energy: -11.077 flat angles P-C4'-P energy: -9.652 tors. eta vs tors. theta energy: -17.780 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: 6, replica: 6 ===================================== Write number: 75 Temperature: 1.150000 Total energy: -165.882050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.882050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.882050 (E_RNA) where: Base-Base interactions energy: -105.716 where: short stacking energy: -49.086 Base-Backbone interact. energy: -0.103 local terms energy: -60.062638 where: bonds (distance) C4'-P energy: -14.817 bonds (distance) P-C4' energy: -12.786 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -9.147 tors. eta vs tors. theta energy: -11.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 75 Temperature: 1.200000 Total energy: -83.619551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.619551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.619551 (E_RNA) where: Base-Base interactions energy: -31.893 where: short stacking energy: -31.777 Base-Backbone interact. energy: -0.173 local terms energy: -51.553503 where: bonds (distance) C4'-P energy: -14.267 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -7.432 flat angles P-C4'-P energy: -8.879 tors. eta vs tors. theta energy: -6.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 75 Temperature: 1.250000 Total energy: -80.497294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.497294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.497294 (E_RNA) where: Base-Base interactions energy: -27.967 where: short stacking energy: -27.967 Base-Backbone interact. energy: -0.032 local terms energy: -52.498235 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -13.785 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -3.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 75 Temperature: 1.300000 Total energy: -87.332792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.332792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.332792 (E_RNA) where: Base-Base interactions energy: -46.554 where: short stacking energy: -28.128 Base-Backbone interact. energy: -0.032 local terms energy: -40.747128 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -9.809 flat angles C4'-P-C4' energy: -6.260 flat angles P-C4'-P energy: -8.511 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: 10, replica: 7 ===================================== Write number: 75 Temperature: 1.350000 Total energy: -71.332032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.332032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.332032 (E_RNA) where: Base-Base interactions energy: -23.405 where: short stacking energy: -23.405 Base-Backbone interact. energy: 0.262 local terms energy: -48.189093 where: bonds (distance) C4'-P energy: -8.183 bonds (distance) P-C4' energy: -16.296 flat angles C4'-P-C4' energy: -8.522 flat angles P-C4'-P energy: -10.468 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 76 Temperature: 0.900000 Total energy: -209.598846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.598846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.598846 (E_RNA) where: Base-Base interactions energy: -136.106 where: short stacking energy: -65.387 Base-Backbone interact. energy: -0.183 local terms energy: -73.310030 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -15.039 flat angles C4'-P-C4' energy: -17.708 flat angles P-C4'-P energy: -9.668 tors. eta vs tors. theta energy: -18.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 76 Temperature: 0.950000 Total energy: -186.211600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.211600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.211600 (E_RNA) where: Base-Base interactions energy: -116.657 where: short stacking energy: -53.567 Base-Backbone interact. energy: -0.882 local terms energy: -68.673092 where: bonds (distance) C4'-P energy: -15.723 bonds (distance) P-C4' energy: -15.616 flat angles C4'-P-C4' energy: -11.834 flat angles P-C4'-P energy: -10.712 tors. eta vs tors. theta energy: -14.787 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: 3, replica: 3 ===================================== Write number: 76 Temperature: 1.000000 Total energy: -180.843143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.843143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.843143 (E_RNA) where: Base-Base interactions energy: -116.538 where: short stacking energy: -51.289 Base-Backbone interact. energy: -0.337 local terms energy: -63.967503 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -15.670 flat angles C4'-P-C4' energy: -14.681 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -15.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 76 Temperature: 1.050000 Total energy: -191.076159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.076159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.076159 (E_RNA) where: Base-Base interactions energy: -119.317 where: short stacking energy: -57.436 Base-Backbone interact. energy: -0.020 local terms energy: -71.738633 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -13.273 flat angles C4'-P-C4' energy: -14.623 flat angles P-C4'-P energy: -12.393 tors. eta vs tors. theta energy: -16.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 76 Temperature: 1.100000 Total energy: -173.493048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.493048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.493048 (E_RNA) where: Base-Base interactions energy: -113.310 where: short stacking energy: -49.869 Base-Backbone interact. energy: -0.101 local terms energy: -60.082372 where: bonds (distance) C4'-P energy: -11.319 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -11.383 flat angles P-C4'-P energy: -6.131 tors. eta vs tors. theta energy: -17.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 76 Temperature: 1.150000 Total energy: -167.407407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.407407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.407407 (E_RNA) where: Base-Base interactions energy: -106.133 where: short stacking energy: -55.075 Base-Backbone interact. energy: -0.066 local terms energy: -61.208767 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -12.650 flat angles C4'-P-C4' energy: -13.142 flat angles P-C4'-P energy: -6.753 tors. eta vs tors. theta energy: -15.449 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: 8 ===================================== Write number: 76 Temperature: 1.200000 Total energy: -79.933704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.933704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.933704 (E_RNA) where: Base-Base interactions energy: -33.952 where: short stacking energy: -33.952 Base-Backbone interact. energy: -0.095 local terms energy: -45.886411 where: bonds (distance) C4'-P energy: -10.715 bonds (distance) P-C4' energy: -13.835 flat angles C4'-P-C4' energy: -12.030 flat angles P-C4'-P energy: -7.724 tors. eta vs tors. theta energy: -1.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 76 Temperature: 1.250000 Total energy: -79.504866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.504866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.504866 (E_RNA) where: Base-Base interactions energy: -30.575 where: short stacking energy: -20.600 Base-Backbone interact. energy: -0.254 local terms energy: -48.675546 where: bonds (distance) C4'-P energy: -7.473 bonds (distance) P-C4' energy: -16.625 flat angles C4'-P-C4' energy: -15.253 flat angles P-C4'-P energy: -8.756 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: 9, replica: 7 ===================================== Write number: 76 Temperature: 1.300000 Total energy: -91.031765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.031765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.031765 (E_RNA) where: Base-Base interactions energy: -41.205 where: short stacking energy: -27.951 Base-Backbone interact. energy: -0.183 local terms energy: -49.643720 where: bonds (distance) C4'-P energy: -13.754 bonds (distance) P-C4' energy: -10.715 flat angles C4'-P-C4' energy: -13.745 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -5.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 76 Temperature: 1.350000 Total energy: -76.807405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.807405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.807405 (E_RNA) where: Base-Base interactions energy: -21.912 where: short stacking energy: -21.912 Base-Backbone interact. energy: -0.663 local terms energy: -54.232299 where: bonds (distance) C4'-P energy: -14.257 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -10.348 tors. eta vs tors. theta energy: -4.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 77 Temperature: 0.900000 Total energy: -208.096099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.096099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.096099 (E_RNA) where: Base-Base interactions energy: -134.484 where: short stacking energy: -64.098 Base-Backbone interact. energy: -0.499 local terms energy: -73.112711 where: bonds (distance) C4'-P energy: -14.978 bonds (distance) P-C4' energy: -14.599 flat angles C4'-P-C4' energy: -13.117 flat angles P-C4'-P energy: -11.713 tors. eta vs tors. theta energy: -18.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 77 Temperature: 0.950000 Total energy: -183.959753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.959753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.959753 (E_RNA) where: Base-Base interactions energy: -122.358 where: short stacking energy: -58.120 Base-Backbone interact. energy: -0.006 local terms energy: -61.596298 where: bonds (distance) C4'-P energy: -9.166 bonds (distance) P-C4' energy: -13.635 flat angles C4'-P-C4' energy: -10.941 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -18.090 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: 3, replica: 10 ===================================== Write number: 77 Temperature: 1.000000 Total energy: -190.037153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.037153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.037153 (E_RNA) where: Base-Base interactions energy: -122.915 where: short stacking energy: -65.692 Base-Backbone interact. energy: -0.029 local terms energy: -67.093293 where: bonds (distance) C4'-P energy: -7.930 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -14.388 flat angles P-C4'-P energy: -10.450 tors. eta vs tors. theta energy: -20.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 77 Temperature: 1.050000 Total energy: -179.124579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.124579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.124579 (E_RNA) where: Base-Base interactions energy: -116.879 where: short stacking energy: -56.411 Base-Backbone interact. energy: -0.004 local terms energy: -62.240864 where: bonds (distance) C4'-P energy: -8.587 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -9.752 tors. eta vs tors. theta energy: -16.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 77 Temperature: 1.100000 Total energy: -172.765052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.765052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.765052 (E_RNA) where: Base-Base interactions energy: -114.289 where: short stacking energy: -53.948 Base-Backbone interact. energy: 0.354 local terms energy: -58.830462 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -13.230 flat angles C4'-P-C4' energy: -8.787 flat angles P-C4'-P energy: -10.347 tors. eta vs tors. theta energy: -12.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 77 Temperature: 1.150000 Total energy: -174.446024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.446024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.446024 (E_RNA) where: Base-Base interactions energy: -112.109 where: short stacking energy: -55.479 Base-Backbone interact. energy: -0.057 local terms energy: -62.280173 where: bonds (distance) C4'-P energy: -9.725 bonds (distance) P-C4' energy: -11.637 flat angles C4'-P-C4' energy: -15.907 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -15.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 77 Temperature: 1.200000 Total energy: -97.526328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.526328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.526328 (E_RNA) where: Base-Base interactions energy: -48.845 where: short stacking energy: -33.136 Base-Backbone interact. energy: -0.468 local terms energy: -48.212882 where: bonds (distance) C4'-P energy: -9.025 bonds (distance) P-C4' energy: -11.612 flat angles C4'-P-C4' energy: -14.051 flat angles P-C4'-P energy: -8.563 tors. eta vs tors. theta energy: -4.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 77 Temperature: 1.250000 Total energy: -78.993060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.993060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.993060 (E_RNA) where: Base-Base interactions energy: -33.372 where: short stacking energy: -32.494 Base-Backbone interact. energy: -0.068 local terms energy: -45.553948 where: bonds (distance) C4'-P energy: -12.326 bonds (distance) P-C4' energy: -11.179 flat angles C4'-P-C4' energy: -13.551 flat angles P-C4'-P energy: -5.393 tors. eta vs tors. theta energy: -3.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 77 Temperature: 1.300000 Total energy: -77.592875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.592875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.592875 (E_RNA) where: Base-Base interactions energy: -30.914 where: short stacking energy: -28.732 Base-Backbone interact. energy: -0.004 local terms energy: -46.674180 where: bonds (distance) C4'-P energy: -14.924 bonds (distance) P-C4' energy: -10.673 flat angles C4'-P-C4' energy: -10.414 flat angles P-C4'-P energy: -8.664 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: 10, replica: 5 ===================================== Write number: 77 Temperature: 1.350000 Total energy: -73.458495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.458495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.458495 (E_RNA) where: Base-Base interactions energy: -27.032 where: short stacking energy: -27.032 Base-Backbone interact. energy: 0.324 local terms energy: -46.750502 where: bonds (distance) C4'-P energy: -9.124 bonds (distance) P-C4' energy: -13.731 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -2.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 78 Temperature: 0.900000 Total energy: -200.835139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.835139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.835139 (E_RNA) where: Base-Base interactions energy: -128.377 where: short stacking energy: -60.388 Base-Backbone interact. energy: -0.880 local terms energy: -71.577871 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -15.917 flat angles C4'-P-C4' energy: -15.158 flat angles P-C4'-P energy: -8.546 tors. eta vs tors. theta energy: -17.232 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: -202.652722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.652722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.652722 (E_RNA) where: Base-Base interactions energy: -133.491 where: short stacking energy: -57.013 Base-Backbone interact. energy: -0.285 local terms energy: -68.876238 where: bonds (distance) C4'-P energy: -13.186 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -13.451 flat angles P-C4'-P energy: -11.338 tors. eta vs tors. theta energy: -15.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 78 Temperature: 1.000000 Total energy: -189.138464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.138464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.138464 (E_RNA) where: Base-Base interactions energy: -122.162 where: short stacking energy: -59.171 Base-Backbone interact. energy: -1.292 local terms energy: -65.683796 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -15.739 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -6.212 tors. eta vs tors. theta energy: -16.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 78 Temperature: 1.050000 Total energy: -189.656195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.656195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.656195 (E_RNA) where: Base-Base interactions energy: -125.736 where: short stacking energy: -52.180 Base-Backbone interact. energy: -0.634 local terms energy: -63.286319 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -10.056 flat angles C4'-P-C4' energy: -11.273 flat angles P-C4'-P energy: -10.910 tors. eta vs tors. theta energy: -15.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 78 Temperature: 1.100000 Total energy: -179.694374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.694374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.694374 (E_RNA) where: Base-Base interactions energy: -115.618 where: short stacking energy: -50.412 Base-Backbone interact. energy: -0.039 local terms energy: -64.038137 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -13.136 flat angles C4'-P-C4' energy: -15.648 flat angles P-C4'-P energy: -6.773 tors. eta vs tors. theta energy: -15.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 78 Temperature: 1.150000 Total energy: -166.286577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.286577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.286577 (E_RNA) where: Base-Base interactions energy: -104.057 where: short stacking energy: -49.058 Base-Backbone interact. energy: -0.454 local terms energy: -61.775470 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -9.323 tors. eta vs tors. theta energy: -13.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 78 Temperature: 1.200000 Total energy: -94.301137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.301137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.301137 (E_RNA) where: Base-Base interactions energy: -38.910 where: short stacking energy: -38.910 Base-Backbone interact. energy: -0.009 local terms energy: -55.381628 where: bonds (distance) C4'-P energy: -8.777 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -12.514 flat angles P-C4'-P energy: -7.324 tors. eta vs tors. theta energy: -11.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 78 Temperature: 1.250000 Total energy: -78.632548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.632548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.632548 (E_RNA) where: Base-Base interactions energy: -31.266 where: short stacking energy: -12.487 Base-Backbone interact. energy: -0.650 local terms energy: -46.716803 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -10.198 flat angles P-C4'-P energy: -8.955 tors. eta vs tors. theta energy: 2.357 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 78 Temperature: 1.300000 Total energy: -78.043102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.043102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.043102 (E_RNA) where: Base-Base interactions energy: -29.976 where: short stacking energy: -29.976 Base-Backbone interact. energy: -0.289 local terms energy: -47.778246 where: bonds (distance) C4'-P energy: -13.945 bonds (distance) P-C4' energy: -12.903 flat angles C4'-P-C4' energy: -12.122 flat angles P-C4'-P energy: -3.261 tors. eta vs tors. theta energy: -5.547 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 78 Temperature: 1.350000 Total energy: -76.506975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.506975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.506975 (E_RNA) where: Base-Base interactions energy: -23.767 where: short stacking energy: -23.767 Base-Backbone interact. energy: -0.167 local terms energy: -52.572593 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -14.704 flat angles C4'-P-C4' energy: -11.602 flat angles P-C4'-P energy: -7.881 tors. eta vs tors. theta energy: -5.886 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: 1, replica: 3 ===================================== Write number: 79 Temperature: 0.900000 Total energy: -197.571778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.571778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.571778 (E_RNA) where: Base-Base interactions energy: -135.883 where: short stacking energy: -66.566 Base-Backbone interact. energy: 0.734 local terms energy: -62.422338 where: bonds (distance) C4'-P energy: -11.647 bonds (distance) P-C4' energy: -12.374 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -9.643 tors. eta vs tors. theta energy: -14.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 79 Temperature: 0.950000 Total energy: -189.517001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.517001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.517001 (E_RNA) where: Base-Base interactions energy: -123.620 where: short stacking energy: -62.308 Base-Backbone interact. energy: -0.103 local terms energy: -65.794413 where: bonds (distance) C4'-P energy: -10.247 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -13.918 flat angles P-C4'-P energy: -11.164 tors. eta vs tors. theta energy: -17.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 79 Temperature: 1.000000 Total energy: -200.100201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.100201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.100201 (E_RNA) where: Base-Base interactions energy: -131.500 where: short stacking energy: -65.166 Base-Backbone interact. energy: -0.066 local terms energy: -68.534468 where: bonds (distance) C4'-P energy: -10.141 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -15.051 flat angles P-C4'-P energy: -10.767 tors. eta vs tors. theta energy: -16.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 79 Temperature: 1.050000 Total energy: -190.676191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.676191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.676191 (E_RNA) where: Base-Base interactions energy: -122.530 where: short stacking energy: -54.673 Base-Backbone interact. energy: -0.001 local terms energy: -68.144555 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -14.238 flat angles P-C4'-P energy: -7.588 tors. eta vs tors. theta energy: -17.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 79 Temperature: 1.100000 Total energy: -180.669887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.669887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.669887 (E_RNA) where: Base-Base interactions energy: -119.820 where: short stacking energy: -57.351 Base-Backbone interact. energy: -1.737 local terms energy: -59.112279 where: bonds (distance) C4'-P energy: -5.507 bonds (distance) P-C4' energy: -13.080 flat angles C4'-P-C4' energy: -15.119 flat angles P-C4'-P energy: -9.772 tors. eta vs tors. theta energy: -15.635 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: 6, replica: 1 ===================================== Write number: 79 Temperature: 1.150000 Total energy: -156.350272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.350272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.350272 (E_RNA) where: Base-Base interactions energy: -99.333 where: short stacking energy: -51.109 Base-Backbone interact. energy: -0.221 local terms energy: -56.795808 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -11.967 flat angles P-C4'-P energy: -8.021 tors. eta vs tors. theta energy: -12.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 79 Temperature: 1.200000 Total energy: -81.508616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.508616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.508616 (E_RNA) where: Base-Base interactions energy: -48.689 where: short stacking energy: -25.166 Base-Backbone interact. energy: -0.331 local terms energy: -32.489266 where: bonds (distance) C4'-P energy: -14.723 bonds (distance) P-C4' energy: -10.320 flat angles C4'-P-C4' energy: -4.728 flat angles P-C4'-P energy: -3.942 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: 8, replica: 5 ===================================== Write number: 79 Temperature: 1.250000 Total energy: -80.513089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.513089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.513089 (E_RNA) where: Base-Base interactions energy: -34.171 where: short stacking energy: -33.841 Base-Backbone interact. energy: -0.055 local terms energy: -46.287101 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -9.735 flat angles P-C4'-P energy: -9.277 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: 9, replica: 8 ===================================== Write number: 79 Temperature: 1.300000 Total energy: -75.485068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.485068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.485068 (E_RNA) where: Base-Base interactions energy: -37.323 where: short stacking energy: -23.991 Base-Backbone interact. energy: -0.193 local terms energy: -37.968871 where: bonds (distance) C4'-P energy: -13.045 bonds (distance) P-C4' energy: -9.485 flat angles C4'-P-C4' energy: -9.196 flat angles P-C4'-P energy: -6.949 tors. eta vs tors. theta energy: 0.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 79 Temperature: 1.350000 Total energy: -70.197591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.197591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.197591 (E_RNA) where: Base-Base interactions energy: -21.840 where: short stacking energy: -21.840 Base-Backbone interact. energy: -0.102 local terms energy: -48.255810 where: bonds (distance) C4'-P energy: -9.836 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 80 Temperature: 0.900000 Total energy: -199.494765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.494765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.494765 (E_RNA) where: Base-Base interactions energy: -131.730 where: short stacking energy: -62.591 Base-Backbone interact. energy: -0.332 local terms energy: -67.432507 where: bonds (distance) C4'-P energy: -11.792 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -13.210 flat angles P-C4'-P energy: -9.357 tors. eta vs tors. theta energy: -18.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 80 Temperature: 0.950000 Total energy: -192.249770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.249770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.249770 (E_RNA) where: Base-Base interactions energy: -125.033 where: short stacking energy: -63.693 Base-Backbone interact. energy: -0.007 local terms energy: -67.210079 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -16.999 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: 2 ===================================== Write number: 80 Temperature: 1.000000 Total energy: -186.947112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.947112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.947112 (E_RNA) where: Base-Base interactions energy: -121.219 where: short stacking energy: -51.932 Base-Backbone interact. energy: -0.879 local terms energy: -64.849120 where: bonds (distance) C4'-P energy: -13.327 bonds (distance) P-C4' energy: -13.901 flat angles C4'-P-C4' energy: -13.250 flat angles P-C4'-P energy: -6.376 tors. eta vs tors. theta energy: -17.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 80 Temperature: 1.050000 Total energy: -207.758849 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.758849 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.758849 (E_RNA) where: Base-Base interactions energy: -142.445 where: short stacking energy: -66.883 Base-Backbone interact. energy: -0.005 local terms energy: -65.309095 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -13.417 flat angles P-C4'-P energy: -7.196 tors. eta vs tors. theta energy: -19.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 80 Temperature: 1.100000 Total energy: -150.192730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.192730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.192730 (E_RNA) where: Base-Base interactions energy: -98.212 where: short stacking energy: -38.753 Base-Backbone interact. energy: -0.289 local terms energy: -51.691035 where: bonds (distance) C4'-P energy: -9.894 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -12.040 flat angles P-C4'-P energy: -9.290 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: 6, replica: 6 ===================================== Write number: 80 Temperature: 1.150000 Total energy: -170.719851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.719851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.719851 (E_RNA) where: Base-Base interactions energy: -113.388 where: short stacking energy: -46.400 Base-Backbone interact. energy: -0.490 local terms energy: -56.841402 where: bonds (distance) C4'-P energy: -9.654 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -6.450 tors. eta vs tors. theta energy: -12.468 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: 7, replica: 7 ===================================== Write number: 80 Temperature: 1.200000 Total energy: -87.620962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.620962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.620962 (E_RNA) where: Base-Base interactions energy: -41.779 where: short stacking energy: -24.100 Base-Backbone interact. energy: -0.243 local terms energy: -45.599001 where: bonds (distance) C4'-P energy: -10.776 bonds (distance) P-C4' energy: -15.203 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -5.999 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: 8, replica: 5 ===================================== Write number: 80 Temperature: 1.250000 Total energy: -109.972322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.972322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.972322 (E_RNA) where: Base-Base interactions energy: -61.098 where: short stacking energy: -30.549 Base-Backbone interact. energy: -0.246 local terms energy: -48.628230 where: bonds (distance) C4'-P energy: -10.202 bonds (distance) P-C4' energy: -7.626 flat angles C4'-P-C4' energy: -11.213 flat angles P-C4'-P energy: -9.597 tors. eta vs tors. theta energy: -9.990 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: 8 ===================================== Write number: 80 Temperature: 1.300000 Total energy: -68.502741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.502741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.502741 (E_RNA) where: Base-Base interactions energy: -15.816 where: short stacking energy: -15.816 Base-Backbone interact. energy: -0.004 local terms energy: -52.683348 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -11.657 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -11.409 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: 4 ===================================== Write number: 80 Temperature: 1.350000 Total energy: -79.571706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.571706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.571706 (E_RNA) where: Base-Base interactions energy: -27.360 where: short stacking energy: -25.113 Base-Backbone interact. energy: -0.012 local terms energy: -52.199606 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -5.171 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: 1, replica: 10 ===================================== Write number: 81 Temperature: 0.900000 Total energy: -200.851972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.851972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.851972 (E_RNA) where: Base-Base interactions energy: -126.810 where: short stacking energy: -57.738 Base-Backbone interact. energy: -0.002 local terms energy: -74.039770 where: bonds (distance) C4'-P energy: -15.454 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -11.195 tors. eta vs tors. theta energy: -19.418 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: 2 ===================================== Write number: 81 Temperature: 0.950000 Total energy: -198.614299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.614299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.614299 (E_RNA) where: Base-Base interactions energy: -129.213 where: short stacking energy: -54.048 Base-Backbone interact. energy: -0.091 local terms energy: -69.309889 where: bonds (distance) C4'-P energy: -13.621 bonds (distance) P-C4' energy: -16.132 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -19.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 81 Temperature: 1.000000 Total energy: -178.439306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.439306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.439306 (E_RNA) where: Base-Base interactions energy: -115.359 where: short stacking energy: -56.175 Base-Backbone interact. energy: -0.030 local terms energy: -63.049967 where: bonds (distance) C4'-P energy: -11.182 bonds (distance) P-C4' energy: -15.353 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -10.583 tors. eta vs tors. theta energy: -12.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 81 Temperature: 1.050000 Total energy: -193.412242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.412242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.412242 (E_RNA) where: Base-Base interactions energy: -126.310 where: short stacking energy: -61.232 Base-Backbone interact. energy: -0.162 local terms energy: -66.940705 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -12.733 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -10.841 tors. eta vs tors. theta energy: -17.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 81 Temperature: 1.100000 Total energy: -177.005856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.005856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.005856 (E_RNA) where: Base-Base interactions energy: -112.212 where: short stacking energy: -41.653 Base-Backbone interact. energy: 0.029 local terms energy: -64.822603 where: bonds (distance) C4'-P energy: -13.494 bonds (distance) P-C4' energy: -15.457 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -12.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 81 Temperature: 1.150000 Total energy: -169.756613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.756613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.756613 (E_RNA) where: Base-Base interactions energy: -107.809 where: short stacking energy: -50.491 Base-Backbone interact. energy: -0.115 local terms energy: -61.832341 where: bonds (distance) C4'-P energy: -14.378 bonds (distance) P-C4' energy: -11.200 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -8.831 tors. eta vs tors. theta energy: -14.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 81 Temperature: 1.200000 Total energy: -99.590193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.590193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.590193 (E_RNA) where: Base-Base interactions energy: -41.888 where: short stacking energy: -41.888 Base-Backbone interact. energy: -0.101 local terms energy: -57.601059 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -8.297 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: 5 ===================================== Write number: 81 Temperature: 1.250000 Total energy: -84.678840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.678840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.678840 (E_RNA) where: Base-Base interactions energy: -39.802 where: short stacking energy: -31.029 Base-Backbone interact. energy: 0.130 local terms energy: -45.006833 where: bonds (distance) C4'-P energy: -10.980 bonds (distance) P-C4' energy: -11.628 flat angles C4'-P-C4' energy: -8.530 flat angles P-C4'-P energy: -7.010 tors. eta vs tors. theta energy: -6.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 81 Temperature: 1.300000 Total energy: -77.721640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.721640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.721640 (E_RNA) where: Base-Base interactions energy: -28.600 where: short stacking energy: -25.495 Base-Backbone interact. energy: -0.727 local terms energy: -48.394248 where: bonds (distance) C4'-P energy: -7.489 bonds (distance) P-C4' energy: -16.336 flat angles C4'-P-C4' energy: -13.722 flat angles P-C4'-P energy: -10.307 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 81 Temperature: 1.350000 Total energy: -72.377862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.377862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.377862 (E_RNA) where: Base-Base interactions energy: -31.718 where: short stacking energy: -14.174 Base-Backbone interact. energy: -0.230 local terms energy: -40.429194 where: bonds (distance) C4'-P energy: -9.423 bonds (distance) P-C4' energy: -12.644 flat angles C4'-P-C4' energy: -10.161 flat angles P-C4'-P energy: -8.730 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: 10 ===================================== Write number: 82 Temperature: 0.900000 Total energy: -197.376598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.376598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.376598 (E_RNA) where: Base-Base interactions energy: -136.055 where: short stacking energy: -57.791 Base-Backbone interact. energy: -0.658 local terms energy: -60.663394 where: bonds (distance) C4'-P energy: -11.515 bonds (distance) P-C4' energy: -11.607 flat angles C4'-P-C4' energy: -15.690 flat angles P-C4'-P energy: -6.198 tors. eta vs tors. theta energy: -15.653 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: 2 ===================================== Write number: 82 Temperature: 0.950000 Total energy: -198.767301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.767301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.767301 (E_RNA) where: Base-Base interactions energy: -127.046 where: short stacking energy: -63.916 Base-Backbone interact. energy: -0.000 local terms energy: -71.720732 where: bonds (distance) C4'-P energy: -12.474 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -15.944 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -17.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 82 Temperature: 1.000000 Total energy: -190.003347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.003347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.003347 (E_RNA) where: Base-Base interactions energy: -121.653 where: short stacking energy: -63.670 Base-Backbone interact. energy: -0.000 local terms energy: -68.349761 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -15.372 flat angles P-C4'-P energy: -7.222 tors. eta vs tors. theta energy: -17.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 82 Temperature: 1.050000 Total energy: -192.042308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.042308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.042308 (E_RNA) where: Base-Base interactions energy: -126.318 where: short stacking energy: -53.907 Base-Backbone interact. energy: -0.104 local terms energy: -65.619726 where: bonds (distance) C4'-P energy: -12.722 bonds (distance) P-C4' energy: -16.231 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -14.377 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: 1 ===================================== Write number: 82 Temperature: 1.100000 Total energy: -179.149547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.149547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.149547 (E_RNA) where: Base-Base interactions energy: -119.882 where: short stacking energy: -61.520 Base-Backbone interact. energy: -0.127 local terms energy: -59.140677 where: bonds (distance) C4'-P energy: -9.204 bonds (distance) P-C4' energy: -14.970 flat angles C4'-P-C4' energy: -16.971 flat angles P-C4'-P energy: -0.854 tors. eta vs tors. theta energy: -17.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 82 Temperature: 1.150000 Total energy: -155.101850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.101850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.101850 (E_RNA) where: Base-Base interactions energy: -99.483 where: short stacking energy: -44.489 Base-Backbone interact. energy: -1.004 local terms energy: -54.614048 where: bonds (distance) C4'-P energy: -10.589 bonds (distance) P-C4' energy: -14.966 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -5.792 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: 7, replica: 5 ===================================== Write number: 82 Temperature: 1.200000 Total energy: -106.180788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.180788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.180788 (E_RNA) where: Base-Base interactions energy: -52.043 where: short stacking energy: -29.371 Base-Backbone interact. energy: -0.125 local terms energy: -54.012300 where: bonds (distance) C4'-P energy: -12.685 bonds (distance) P-C4' energy: -12.190 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -8.355 tors. eta vs tors. theta energy: -6.232 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: 7 ===================================== Write number: 82 Temperature: 1.250000 Total energy: -81.874857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.874857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.874857 (E_RNA) where: Base-Base interactions energy: -36.911 where: short stacking energy: -31.278 Base-Backbone interact. energy: -0.032 local terms energy: -44.932057 where: bonds (distance) C4'-P energy: -5.470 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -12.782 flat angles P-C4'-P energy: -7.092 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: 4 ===================================== Write number: 82 Temperature: 1.300000 Total energy: -79.040854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.040854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.040854 (E_RNA) where: Base-Base interactions energy: -31.054 where: short stacking energy: -29.214 Base-Backbone interact. energy: -0.565 local terms energy: -47.422059 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -12.822 flat angles P-C4'-P energy: -2.473 tors. eta vs tors. theta energy: -5.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 82 Temperature: 1.350000 Total energy: -72.589080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.589080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.589080 (E_RNA) where: Base-Base interactions energy: -36.700 where: short stacking energy: -29.055 Base-Backbone interact. energy: -0.041 local terms energy: -35.848292 where: bonds (distance) C4'-P energy: -13.852 bonds (distance) P-C4' energy: -10.429 flat angles C4'-P-C4' energy: -2.654 flat angles P-C4'-P energy: -9.193 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: 1, replica: 10 ===================================== Write number: 83 Temperature: 0.900000 Total energy: -192.653799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.653799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.653799 (E_RNA) where: Base-Base interactions energy: -129.790 where: short stacking energy: -60.771 Base-Backbone interact. energy: 0.257 local terms energy: -63.120977 where: bonds (distance) C4'-P energy: -11.005 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -12.451 flat angles P-C4'-P energy: -11.481 tors. eta vs tors. theta energy: -15.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 83 Temperature: 0.950000 Total energy: -192.637185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.637185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.637185 (E_RNA) where: Base-Base interactions energy: -128.348 where: short stacking energy: -63.309 Base-Backbone interact. energy: -0.952 local terms energy: -63.337360 where: bonds (distance) C4'-P energy: -15.070 bonds (distance) P-C4' energy: -9.308 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -16.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 83 Temperature: 1.000000 Total energy: -190.138255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.138255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.138255 (E_RNA) where: Base-Base interactions energy: -130.110 where: short stacking energy: -54.060 Base-Backbone interact. energy: -1.263 local terms energy: -58.765435 where: bonds (distance) C4'-P energy: -9.639 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -10.763 flat angles P-C4'-P energy: -8.146 tors. eta vs tors. theta energy: -14.727 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: 1 ===================================== Write number: 83 Temperature: 1.050000 Total energy: -187.167796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.167796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.167796 (E_RNA) where: Base-Base interactions energy: -123.336 where: short stacking energy: -51.849 Base-Backbone interact. energy: -0.008 local terms energy: -63.823900 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -16.678 flat angles C4'-P-C4' energy: -10.636 flat angles P-C4'-P energy: -8.462 tors. eta vs tors. theta energy: -15.527 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 83 Temperature: 1.100000 Total energy: -194.554047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.554047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.554047 (E_RNA) where: Base-Base interactions energy: -129.792 where: short stacking energy: -62.908 Base-Backbone interact. energy: 0.836 local terms energy: -65.598296 where: bonds (distance) C4'-P energy: -12.715 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -14.216 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -16.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 83 Temperature: 1.150000 Total energy: -169.408461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.408461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.408461 (E_RNA) where: Base-Base interactions energy: -110.905 where: short stacking energy: -50.473 Base-Backbone interact. energy: -0.111 local terms energy: -58.392122 where: bonds (distance) C4'-P energy: -13.318 bonds (distance) P-C4' energy: -8.940 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -8.570 tors. eta vs tors. theta energy: -14.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 83 Temperature: 1.200000 Total energy: -86.132376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.132376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.132376 (E_RNA) where: Base-Base interactions energy: -42.383 where: short stacking energy: -30.872 Base-Backbone interact. energy: -0.056 local terms energy: -43.693720 where: bonds (distance) C4'-P energy: -12.656 bonds (distance) P-C4' energy: -10.856 flat angles C4'-P-C4' energy: -4.633 flat angles P-C4'-P energy: -13.191 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: 8, replica: 7 ===================================== Write number: 83 Temperature: 1.250000 Total energy: -90.117716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.117716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.117716 (E_RNA) where: Base-Base interactions energy: -34.869 where: short stacking energy: -33.865 Base-Backbone interact. energy: 0.126 local terms energy: -55.374748 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -16.184 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -8.125 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: 9, replica: 4 ===================================== Write number: 83 Temperature: 1.300000 Total energy: -71.191956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.191956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.191956 (E_RNA) where: Base-Base interactions energy: -29.457 where: short stacking energy: -27.813 Base-Backbone interact. energy: -0.253 local terms energy: -41.482551 where: bonds (distance) C4'-P energy: -5.568 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -9.349 flat angles P-C4'-P energy: -9.920 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: 10, replica: 8 ===================================== Write number: 83 Temperature: 1.350000 Total energy: -75.943393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.943393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.943393 (E_RNA) where: Base-Base interactions energy: -23.367 where: short stacking energy: -23.367 Base-Backbone interact. energy: -0.023 local terms energy: -52.553439 where: bonds (distance) C4'-P energy: -8.491 bonds (distance) P-C4' energy: -15.646 flat angles C4'-P-C4' energy: -13.664 flat angles P-C4'-P energy: -8.615 tors. eta vs tors. theta energy: -6.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 84 Temperature: 0.900000 Total energy: -192.389763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.389763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.389763 (E_RNA) where: Base-Base interactions energy: -124.908 where: short stacking energy: -52.080 Base-Backbone interact. energy: -0.001 local terms energy: -67.480873 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -15.153 flat angles P-C4'-P energy: -4.035 tors. eta vs tors. theta energy: -18.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 84 Temperature: 0.950000 Total energy: -192.903629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.903629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.903629 (E_RNA) where: Base-Base interactions energy: -124.541 where: short stacking energy: -57.155 Base-Backbone interact. energy: -0.043 local terms energy: -68.319319 where: bonds (distance) C4'-P energy: -14.793 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -7.761 tors. eta vs tors. theta energy: -17.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 84 Temperature: 1.000000 Total energy: -187.745864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.745864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.745864 (E_RNA) where: Base-Base interactions energy: -124.497 where: short stacking energy: -62.911 Base-Backbone interact. energy: -1.990 local terms energy: -61.259173 where: bonds (distance) C4'-P energy: -10.441 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -9.370 flat angles P-C4'-P energy: -10.506 tors. eta vs tors. theta energy: -17.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 84 Temperature: 1.050000 Total energy: -185.755321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.755321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.755321 (E_RNA) where: Base-Base interactions energy: -126.485 where: short stacking energy: -59.193 Base-Backbone interact. energy: -0.028 local terms energy: -59.242478 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -9.936 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -13.177 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: 6 ===================================== Write number: 84 Temperature: 1.100000 Total energy: -177.489839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.489839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.489839 (E_RNA) where: Base-Base interactions energy: -112.217 where: short stacking energy: -40.524 Base-Backbone interact. energy: -0.001 local terms energy: -65.271490 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -12.551 flat angles C4'-P-C4' energy: -14.645 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -14.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 84 Temperature: 1.150000 Total energy: -198.319725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.319725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.319725 (E_RNA) where: Base-Base interactions energy: -140.041 where: short stacking energy: -61.267 Base-Backbone interact. energy: -0.088 local terms energy: -58.190892 where: bonds (distance) C4'-P energy: -11.894 bonds (distance) P-C4' energy: -9.377 flat angles C4'-P-C4' energy: -12.735 flat angles P-C4'-P energy: -8.123 tors. eta vs tors. theta energy: -16.062 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: 5 ===================================== Write number: 84 Temperature: 1.200000 Total energy: -87.324075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.324075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.324075 (E_RNA) where: Base-Base interactions energy: -41.483 where: short stacking energy: -38.438 Base-Backbone interact. energy: -0.145 local terms energy: -45.696536 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -10.977 flat angles C4'-P-C4' energy: -10.721 flat angles P-C4'-P energy: -2.929 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: 8, replica: 7 ===================================== Write number: 84 Temperature: 1.250000 Total energy: -88.256634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.256634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.256634 (E_RNA) where: Base-Base interactions energy: -40.417 where: short stacking energy: -27.681 Base-Backbone interact. energy: -0.034 local terms energy: -47.804937 where: bonds (distance) C4'-P energy: -10.329 bonds (distance) P-C4' energy: -9.973 flat angles C4'-P-C4' energy: -13.322 flat angles P-C4'-P energy: -8.166 tors. eta vs tors. theta energy: -6.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 84 Temperature: 1.300000 Total energy: -74.318930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.318930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.318930 (E_RNA) where: Base-Base interactions energy: -29.209 where: short stacking energy: -19.637 Base-Backbone interact. energy: 0.303 local terms energy: -45.413277 where: bonds (distance) C4'-P energy: -12.201 bonds (distance) P-C4' energy: -12.531 flat angles C4'-P-C4' energy: -12.553 flat angles P-C4'-P energy: -7.394 tors. eta vs tors. theta energy: -0.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 84 Temperature: 1.350000 Total energy: -82.855338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.855338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.855338 (E_RNA) where: Base-Base interactions energy: -31.857 where: short stacking energy: -31.857 Base-Backbone interact. energy: -0.012 local terms energy: -50.986077 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -7.817 flat angles P-C4'-P energy: -5.955 tors. eta vs tors. theta energy: -10.919 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: 1, replica: 2 ===================================== Write number: 85 Temperature: 0.900000 Total energy: -195.775531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.775531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.775531 (E_RNA) where: Base-Base interactions energy: -129.109 where: short stacking energy: -58.797 Base-Backbone interact. energy: -0.049 local terms energy: -66.618146 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -8.321 tors. eta vs tors. theta energy: -16.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 85 Temperature: 0.950000 Total energy: -192.811702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.811702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.811702 (E_RNA) where: Base-Base interactions energy: -120.229 where: short stacking energy: -63.986 Base-Backbone interact. energy: -0.002 local terms energy: -72.580443 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -12.054 tors. eta vs tors. theta energy: -19.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 85 Temperature: 1.000000 Total energy: -187.098355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.098355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.098355 (E_RNA) where: Base-Base interactions energy: -121.774 where: short stacking energy: -58.761 Base-Backbone interact. energy: -0.010 local terms energy: -65.313656 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -9.786 tors. eta vs tors. theta energy: -16.476 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: 3 ===================================== Write number: 85 Temperature: 1.050000 Total energy: -175.078460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.078460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.078460 (E_RNA) where: Base-Base interactions energy: -121.511 where: short stacking energy: -62.634 Base-Backbone interact. energy: 2.765 local terms energy: -56.332371 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -10.565 flat angles C4'-P-C4' energy: -10.761 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -14.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 85 Temperature: 1.100000 Total energy: -172.130094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.130094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.130094 (E_RNA) where: Base-Base interactions energy: -111.374 where: short stacking energy: -49.670 Base-Backbone interact. energy: -0.157 local terms energy: -60.599888 where: bonds (distance) C4'-P energy: -8.225 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -8.872 tors. eta vs tors. theta energy: -14.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 85 Temperature: 1.150000 Total energy: -190.237941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.237941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.237941 (E_RNA) where: Base-Base interactions energy: -123.193 where: short stacking energy: -57.375 Base-Backbone interact. energy: -0.003 local terms energy: -67.042645 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -15.868 flat angles P-C4'-P energy: -6.584 tors. eta vs tors. theta energy: -18.361 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: 7, replica: 5 ===================================== Write number: 85 Temperature: 1.200000 Total energy: -100.354490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.354490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.354490 (E_RNA) where: Base-Base interactions energy: -42.850 where: short stacking energy: -28.621 Base-Backbone interact. energy: -0.083 local terms energy: -57.421955 where: bonds (distance) C4'-P energy: -15.421 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: -5.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 85 Temperature: 1.250000 Total energy: -106.285455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.285455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.285455 (E_RNA) where: Base-Base interactions energy: -53.159 where: short stacking energy: -36.652 Base-Backbone interact. energy: -0.013 local terms energy: -53.113345 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -13.814 flat angles C4'-P-C4' energy: -9.709 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -8.789 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 85 Temperature: 1.300000 Total energy: -72.371972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.371972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.371972 (E_RNA) where: Base-Base interactions energy: -26.182 where: short stacking energy: -17.460 Base-Backbone interact. energy: -0.233 local terms energy: -45.956777 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -16.916 flat angles C4'-P-C4' energy: -11.562 flat angles P-C4'-P energy: -6.405 tors. eta vs tors. theta energy: 0.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 85 Temperature: 1.350000 Total energy: -77.734381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.734381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.734381 (E_RNA) where: Base-Base interactions energy: -30.712 where: short stacking energy: -30.281 Base-Backbone interact. energy: -0.017 local terms energy: -47.005527 where: bonds (distance) C4'-P energy: -10.974 bonds (distance) P-C4' energy: -9.371 flat angles C4'-P-C4' energy: -12.670 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -6.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 86 Temperature: 0.900000 Total energy: -198.023093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.023093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.023093 (E_RNA) where: Base-Base interactions energy: -124.679 where: short stacking energy: -60.902 Base-Backbone interact. energy: -0.048 local terms energy: -73.296278 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -15.969 flat angles P-C4'-P energy: -9.786 tors. eta vs tors. theta energy: -18.903 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: 1 ===================================== Write number: 86 Temperature: 0.950000 Total energy: -192.351262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.351262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.351262 (E_RNA) where: Base-Base interactions energy: -123.759 where: short stacking energy: -53.642 Base-Backbone interact. energy: -0.066 local terms energy: -68.526427 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -14.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 86 Temperature: 1.000000 Total energy: -183.774028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.774028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.774028 (E_RNA) where: Base-Base interactions energy: -116.926 where: short stacking energy: -58.254 Base-Backbone interact. energy: 2.349 local terms energy: -69.196877 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -14.547 flat angles C4'-P-C4' energy: -13.661 flat angles P-C4'-P energy: -11.158 tors. eta vs tors. theta energy: -16.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 86 Temperature: 1.050000 Total energy: -174.566796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.566796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.566796 (E_RNA) where: Base-Base interactions energy: -113.715 where: short stacking energy: -51.465 Base-Backbone interact. energy: -0.102 local terms energy: -60.749462 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -11.583 flat angles C4'-P-C4' energy: -12.689 flat angles P-C4'-P energy: -9.308 tors. eta vs tors. theta energy: -12.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 86 Temperature: 1.100000 Total energy: -195.112015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.112015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.112015 (E_RNA) where: Base-Base interactions energy: -132.821 where: short stacking energy: -55.745 Base-Backbone interact. energy: -0.083 local terms energy: -62.208488 where: bonds (distance) C4'-P energy: -15.062 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -8.177 tors. eta vs tors. theta energy: -13.294 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: 6, replica: 6 ===================================== Write number: 86 Temperature: 1.150000 Total energy: -168.560700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.560700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.560700 (E_RNA) where: Base-Base interactions energy: -105.682 where: short stacking energy: -41.470 Base-Backbone interact. energy: -0.092 local terms energy: -62.786958 where: bonds (distance) C4'-P energy: -13.239 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -13.986 flat angles P-C4'-P energy: -7.625 tors. eta vs tors. theta energy: -13.060 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: 8 ===================================== Write number: 86 Temperature: 1.200000 Total energy: -81.677296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.677296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.677296 (E_RNA) where: Base-Base interactions energy: -28.611 where: short stacking energy: -23.703 Base-Backbone interact. energy: -0.254 local terms energy: -52.812257 where: bonds (distance) C4'-P energy: -15.956 bonds (distance) P-C4' energy: -13.175 flat angles C4'-P-C4' energy: -9.871 flat angles P-C4'-P energy: -9.940 tors. eta vs tors. theta energy: -3.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 86 Temperature: 1.250000 Total energy: -76.592090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.592090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.592090 (E_RNA) where: Base-Base interactions energy: -27.546 where: short stacking energy: -27.546 Base-Backbone interact. energy: -0.086 local terms energy: -48.959597 where: bonds (distance) C4'-P energy: -13.737 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -7.848 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -6.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 86 Temperature: 1.300000 Total energy: -74.993929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.993929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.993929 (E_RNA) where: Base-Base interactions energy: -24.495 where: short stacking energy: -24.495 Base-Backbone interact. energy: -0.143 local terms energy: -50.356199 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -16.140 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -7.819 tors. eta vs tors. theta energy: 0.108 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: 7 ===================================== Write number: 86 Temperature: 1.350000 Total energy: -99.069820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.069820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.069820 (E_RNA) where: Base-Base interactions energy: -51.950 where: short stacking energy: -35.320 Base-Backbone interact. energy: -0.153 local terms energy: -46.967149 where: bonds (distance) C4'-P energy: -9.436 bonds (distance) P-C4' energy: -12.993 flat angles C4'-P-C4' energy: -9.810 flat angles P-C4'-P energy: -6.341 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: 1, replica: 2 ===================================== Write number: 87 Temperature: 0.900000 Total energy: -191.160293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.160293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.160293 (E_RNA) where: Base-Base interactions energy: -125.678 where: short stacking energy: -49.001 Base-Backbone interact. energy: -0.131 local terms energy: -65.351620 where: bonds (distance) C4'-P energy: -15.294 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -15.597 flat angles P-C4'-P energy: -7.901 tors. eta vs tors. theta energy: -14.037 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: 3 ===================================== Write number: 87 Temperature: 0.950000 Total energy: -184.547174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.547174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.547174 (E_RNA) where: Base-Base interactions energy: -117.550 where: short stacking energy: -55.612 Base-Backbone interact. energy: -0.444 local terms energy: -66.553774 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -12.582 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -16.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 87 Temperature: 1.000000 Total energy: -186.331150 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.331150 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.331150 (E_RNA) where: Base-Base interactions energy: -121.291 where: short stacking energy: -51.923 Base-Backbone interact. energy: -0.001 local terms energy: -65.038925 where: bonds (distance) C4'-P energy: -14.644 bonds (distance) P-C4' energy: -12.357 flat angles C4'-P-C4' energy: -14.689 flat angles P-C4'-P energy: -8.761 tors. eta vs tors. theta energy: -14.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 87 Temperature: 1.050000 Total energy: -190.852428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.852428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.852428 (E_RNA) where: Base-Base interactions energy: -126.549 where: short stacking energy: -58.144 Base-Backbone interact. energy: -0.034 local terms energy: -64.269701 where: bonds (distance) C4'-P energy: -10.036 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -14.829 flat angles P-C4'-P energy: -7.776 tors. eta vs tors. theta energy: -17.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 87 Temperature: 1.100000 Total energy: -181.386847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.386847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.386847 (E_RNA) where: Base-Base interactions energy: -116.135 where: short stacking energy: -49.998 Base-Backbone interact. energy: -0.001 local terms energy: -65.250884 where: bonds (distance) C4'-P energy: -14.929 bonds (distance) P-C4' energy: -12.657 flat angles C4'-P-C4' energy: -13.867 flat angles P-C4'-P energy: -7.467 tors. eta vs tors. theta energy: -16.332 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: 6 ===================================== Write number: 87 Temperature: 1.150000 Total energy: -166.651274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.651274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.651274 (E_RNA) where: Base-Base interactions energy: -108.544 where: short stacking energy: -49.311 Base-Backbone interact. energy: -0.252 local terms energy: -57.854838 where: bonds (distance) C4'-P energy: -8.416 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -7.521 tors. eta vs tors. theta energy: -15.119 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 87 Temperature: 1.200000 Total energy: -88.008328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.008328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.008328 (E_RNA) where: Base-Base interactions energy: -29.116 where: short stacking energy: -29.116 Base-Backbone interact. energy: -0.311 local terms energy: -58.580918 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -15.441 flat angles P-C4'-P energy: -12.890 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: 4 ===================================== Write number: 87 Temperature: 1.250000 Total energy: -86.745936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.745936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.745936 (E_RNA) where: Base-Base interactions energy: -34.824 where: short stacking energy: -34.824 Base-Backbone interact. energy: -0.002 local terms energy: -51.919504 where: bonds (distance) C4'-P energy: -9.055 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -13.260 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -7.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 87 Temperature: 1.300000 Total energy: -86.969757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.969757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.969757 (E_RNA) where: Base-Base interactions energy: -39.691 where: short stacking energy: -39.691 Base-Backbone interact. energy: -0.103 local terms energy: -47.175850 where: bonds (distance) C4'-P energy: -9.145 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -15.763 flat angles P-C4'-P energy: -3.255 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 87 Temperature: 1.350000 Total energy: -89.651173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.651173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.651173 (E_RNA) where: Base-Base interactions energy: -41.743 where: short stacking energy: -41.743 Base-Backbone interact. energy: -0.077 local terms energy: -47.831194 where: bonds (distance) C4'-P energy: -11.467 bonds (distance) P-C4' energy: -17.348 flat angles C4'-P-C4' energy: -8.619 flat angles P-C4'-P energy: -4.810 tors. eta vs tors. theta energy: -5.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 88 Temperature: 0.900000 Total energy: -192.404231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.404231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.404231 (E_RNA) where: Base-Base interactions energy: -118.402 where: short stacking energy: -59.963 Base-Backbone interact. energy: -0.003 local terms energy: -73.999337 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -17.140 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -11.735 tors. eta vs tors. theta energy: -17.001 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: 88 Temperature: 0.950000 Total energy: -196.075512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.075512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.075512 (E_RNA) where: Base-Base interactions energy: -127.051 where: short stacking energy: -58.262 Base-Backbone interact. energy: -0.009 local terms energy: -69.015035 where: bonds (distance) C4'-P energy: -11.865 bonds (distance) P-C4' energy: -16.700 flat angles C4'-P-C4' energy: -14.795 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -15.604 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: 9 ===================================== Write number: 88 Temperature: 1.000000 Total energy: -190.886680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.886680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.886680 (E_RNA) where: Base-Base interactions energy: -128.886 where: short stacking energy: -62.008 Base-Backbone interact. energy: 0.348 local terms energy: -62.348952 where: bonds (distance) C4'-P energy: -9.825 bonds (distance) P-C4' energy: -13.852 flat angles C4'-P-C4' energy: -15.140 flat angles P-C4'-P energy: -8.642 tors. eta vs tors. theta energy: -14.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 88 Temperature: 1.050000 Total energy: -175.922947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.922947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.922947 (E_RNA) where: Base-Base interactions energy: -112.503 where: short stacking energy: -49.712 Base-Backbone interact. energy: 0.563 local terms energy: -63.983164 where: bonds (distance) C4'-P energy: -12.410 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -9.595 tors. eta vs tors. theta energy: -11.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 88 Temperature: 1.100000 Total energy: -181.693366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.693366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.693366 (E_RNA) where: Base-Base interactions energy: -112.876 where: short stacking energy: -52.726 Base-Backbone interact. energy: -0.026 local terms energy: -68.791245 where: bonds (distance) C4'-P energy: -14.816 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -12.956 flat angles P-C4'-P energy: -10.339 tors. eta vs tors. theta energy: -14.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 88 Temperature: 1.150000 Total energy: -168.514553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.514553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.514553 (E_RNA) where: Base-Base interactions energy: -115.107 where: short stacking energy: -46.099 Base-Backbone interact. energy: -0.312 local terms energy: -53.096088 where: bonds (distance) C4'-P energy: -10.540 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -11.946 flat angles P-C4'-P energy: -7.791 tors. eta vs tors. theta energy: -10.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 88 Temperature: 1.200000 Total energy: -86.057343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.057343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.057343 (E_RNA) where: Base-Base interactions energy: -41.494 where: short stacking energy: -41.494 Base-Backbone interact. energy: 0.429 local terms energy: -44.992975 where: bonds (distance) C4'-P energy: -8.686 bonds (distance) P-C4' energy: -12.672 flat angles C4'-P-C4' energy: -11.202 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -7.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 88 Temperature: 1.250000 Total energy: -82.026965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.026965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.026965 (E_RNA) where: Base-Base interactions energy: -40.802 where: short stacking energy: -27.648 Base-Backbone interact. energy: -0.494 local terms energy: -40.730933 where: bonds (distance) C4'-P energy: -10.858 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -11.222 flat angles P-C4'-P energy: -8.840 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: 9, replica: 7 ===================================== Write number: 88 Temperature: 1.300000 Total energy: -80.021449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.021449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.021449 (E_RNA) where: Base-Base interactions energy: -28.920 where: short stacking energy: -28.920 Base-Backbone interact. energy: 0.489 local terms energy: -51.590536 where: bonds (distance) C4'-P energy: -11.389 bonds (distance) P-C4' energy: -11.661 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -7.824 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: 10, replica: 5 ===================================== Write number: 88 Temperature: 1.350000 Total energy: -70.917567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.917567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.917567 (E_RNA) where: Base-Base interactions energy: -17.244 where: short stacking energy: -17.244 Base-Backbone interact. energy: -0.150 local terms energy: -53.524344 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -14.197 flat angles P-C4'-P energy: -7.055 tors. eta vs tors. theta energy: -4.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 89 Temperature: 0.900000 Total energy: -187.401779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.401779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.401779 (E_RNA) where: Base-Base interactions energy: -115.003 where: short stacking energy: -63.658 Base-Backbone interact. energy: -0.048 local terms energy: -72.351061 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -13.306 flat angles P-C4'-P energy: -11.091 tors. eta vs tors. theta energy: -18.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 89 Temperature: 0.950000 Total energy: -196.295997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.295997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.295997 (E_RNA) where: Base-Base interactions energy: -126.116 where: short stacking energy: -60.141 Base-Backbone interact. energy: -0.104 local terms energy: -70.076252 where: bonds (distance) C4'-P energy: -15.555 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -14.124 flat angles P-C4'-P energy: -8.220 tors. eta vs tors. theta energy: -16.637 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: 2 ===================================== Write number: 89 Temperature: 1.000000 Total energy: -191.714299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.714299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.714299 (E_RNA) where: Base-Base interactions energy: -123.814 where: short stacking energy: -60.787 Base-Backbone interact. energy: -0.711 local terms energy: -67.189470 where: bonds (distance) C4'-P energy: -10.793 bonds (distance) P-C4' energy: -12.671 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -16.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 89 Temperature: 1.050000 Total energy: -177.336834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.336834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.336834 (E_RNA) where: Base-Base interactions energy: -118.147 where: short stacking energy: -57.059 Base-Backbone interact. energy: -0.208 local terms energy: -58.982036 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -14.539 flat angles P-C4'-P energy: -1.641 tors. eta vs tors. theta energy: -16.450 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: 1 ===================================== Write number: 89 Temperature: 1.100000 Total energy: -169.835196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.835196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.835196 (E_RNA) where: Base-Base interactions energy: -112.316 where: short stacking energy: -46.774 Base-Backbone interact. energy: -0.170 local terms energy: -57.349779 where: bonds (distance) C4'-P energy: -13.973 bonds (distance) P-C4' energy: -13.232 flat angles C4'-P-C4' energy: -11.607 flat angles P-C4'-P energy: -6.093 tors. eta vs tors. theta energy: -12.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 89 Temperature: 1.150000 Total energy: -164.545965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.545965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.545965 (E_RNA) where: Base-Base interactions energy: -102.134 where: short stacking energy: -46.138 Base-Backbone interact. energy: -0.106 local terms energy: -62.306431 where: bonds (distance) C4'-P energy: -10.509 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -13.825 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -12.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 89 Temperature: 1.200000 Total energy: -87.431726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.431726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.431726 (E_RNA) where: Base-Base interactions energy: -28.927 where: short stacking energy: -28.927 Base-Backbone interact. energy: -0.164 local terms energy: -58.341104 where: bonds (distance) C4'-P energy: -11.476 bonds (distance) P-C4' energy: -15.773 flat angles C4'-P-C4' energy: -15.437 flat angles P-C4'-P energy: -9.810 tors. eta vs tors. theta energy: -5.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 89 Temperature: 1.250000 Total energy: -86.216240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.216240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.216240 (E_RNA) where: Base-Base interactions energy: -31.505 where: short stacking energy: -31.505 Base-Backbone interact. energy: -0.105 local terms energy: -54.605689 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -11.231 flat angles P-C4'-P energy: -7.420 tors. eta vs tors. theta energy: -7.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 89 Temperature: 1.300000 Total energy: -75.120284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.120284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.120284 (E_RNA) where: Base-Base interactions energy: -34.300 where: short stacking energy: -28.125 Base-Backbone interact. energy: -0.029 local terms energy: -40.791900 where: bonds (distance) C4'-P energy: -10.254 bonds (distance) P-C4' energy: -10.712 flat angles C4'-P-C4' energy: -12.919 flat angles P-C4'-P energy: -6.266 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: 10, replica: 5 ===================================== Write number: 89 Temperature: 1.350000 Total energy: -71.552178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.552178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.552178 (E_RNA) where: Base-Base interactions energy: -23.150 where: short stacking energy: -23.150 Base-Backbone interact. energy: -0.141 local terms energy: -48.260885 where: bonds (distance) C4'-P energy: -13.549 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -9.608 flat angles P-C4'-P energy: -8.901 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: 1, replica: 9 ===================================== Write number: 90 Temperature: 0.900000 Total energy: -200.736929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.736929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.736929 (E_RNA) where: Base-Base interactions energy: -129.089 where: short stacking energy: -63.192 Base-Backbone interact. energy: 0.043 local terms energy: -71.690221 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -14.477 flat angles C4'-P-C4' energy: -12.374 flat angles P-C4'-P energy: -13.205 tors. eta vs tors. theta energy: -17.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 90 Temperature: 0.950000 Total energy: -186.714281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.714281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.714281 (E_RNA) where: Base-Base interactions energy: -118.806 where: short stacking energy: -59.860 Base-Backbone interact. energy: -0.088 local terms energy: -67.820405 where: bonds (distance) C4'-P energy: -12.987 bonds (distance) P-C4' energy: -17.620 flat angles C4'-P-C4' energy: -12.664 flat angles P-C4'-P energy: -8.682 tors. eta vs tors. theta energy: -15.868 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: 3, replica: 2 ===================================== Write number: 90 Temperature: 1.000000 Total energy: -185.015132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.015132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.015132 (E_RNA) where: Base-Base interactions energy: -117.810 where: short stacking energy: -56.662 Base-Backbone interact. energy: -0.165 local terms energy: -67.040756 where: bonds (distance) C4'-P energy: -14.051 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -10.516 tors. eta vs tors. theta energy: -13.263 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: 6 ===================================== Write number: 90 Temperature: 1.050000 Total energy: -178.573976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.573976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.573976 (E_RNA) where: Base-Base interactions energy: -114.060 where: short stacking energy: -51.356 Base-Backbone interact. energy: -0.146 local terms energy: -64.367750 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -14.625 flat angles P-C4'-P energy: -8.449 tors. eta vs tors. theta energy: -13.819 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: 10 ===================================== Write number: 90 Temperature: 1.100000 Total energy: -167.803721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.803721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.803721 (E_RNA) where: Base-Base interactions energy: -107.632 where: short stacking energy: -45.291 Base-Backbone interact. energy: -0.815 local terms energy: -59.356173 where: bonds (distance) C4'-P energy: -12.648 bonds (distance) P-C4' energy: -15.188 flat angles C4'-P-C4' energy: -9.914 flat angles P-C4'-P energy: -10.820 tors. eta vs tors. theta energy: -10.787 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: 6, replica: 1 ===================================== Write number: 90 Temperature: 1.150000 Total energy: -166.041682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.041682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.041682 (E_RNA) where: Base-Base interactions energy: -107.737 where: short stacking energy: -42.611 Base-Backbone interact. energy: 0.085 local terms energy: -58.389136 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -8.091 tors. eta vs tors. theta energy: -12.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 90 Temperature: 1.200000 Total energy: -84.712119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.712119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.712119 (E_RNA) where: Base-Base interactions energy: -34.669 where: short stacking energy: -34.669 Base-Backbone interact. energy: -0.108 local terms energy: -49.935448 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -12.396 flat angles C4'-P-C4' energy: -10.954 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -3.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 90 Temperature: 1.250000 Total energy: -74.866476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.866476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.866476 (E_RNA) where: Base-Base interactions energy: -32.587 where: short stacking energy: -32.587 Base-Backbone interact. energy: -0.225 local terms energy: -42.054740 where: bonds (distance) C4'-P energy: -9.441 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -8.950 flat angles P-C4'-P energy: -6.173 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: 9, replica: 5 ===================================== Write number: 90 Temperature: 1.300000 Total energy: -73.159842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.159842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.159842 (E_RNA) where: Base-Base interactions energy: -36.714 where: short stacking energy: -19.751 Base-Backbone interact. energy: -0.569 local terms energy: -35.876308 where: bonds (distance) C4'-P energy: -10.035 bonds (distance) P-C4' energy: -12.959 flat angles C4'-P-C4' energy: -5.206 flat angles P-C4'-P energy: -8.619 tors. eta vs tors. theta energy: 0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 90 Temperature: 1.350000 Total energy: -73.356040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.356040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.356040 (E_RNA) where: Base-Base interactions energy: -26.583 where: short stacking energy: -18.870 Base-Backbone interact. energy: -0.859 local terms energy: -45.914287 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -7.436 flat angles P-C4'-P energy: -6.516 tors. eta vs tors. theta energy: -2.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 91 Temperature: 0.900000 Total energy: -196.638809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.638809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.638809 (E_RNA) where: Base-Base interactions energy: -132.265 where: short stacking energy: -61.274 Base-Backbone interact. energy: -2.234 local terms energy: -62.139341 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -12.112 flat angles C4'-P-C4' energy: -15.594 flat angles P-C4'-P energy: -9.557 tors. eta vs tors. theta energy: -14.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 91 Temperature: 0.950000 Total energy: -179.443370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.443370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.443370 (E_RNA) where: Base-Base interactions energy: -113.683 where: short stacking energy: -60.092 Base-Backbone interact. energy: -0.133 local terms energy: -65.627552 where: bonds (distance) C4'-P energy: -12.548 bonds (distance) P-C4' energy: -16.013 flat angles C4'-P-C4' energy: -9.301 flat angles P-C4'-P energy: -11.785 tors. eta vs tors. theta energy: -15.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 91 Temperature: 1.000000 Total energy: -185.411610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.411610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.411610 (E_RNA) where: Base-Base interactions energy: -129.261 where: short stacking energy: -56.832 Base-Backbone interact. energy: -0.120 local terms energy: -56.030207 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -10.948 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -4.092 tors. eta vs tors. theta energy: -13.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 91 Temperature: 1.050000 Total energy: -168.601262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.601262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.601262 (E_RNA) where: Base-Base interactions energy: -107.379 where: short stacking energy: -50.794 Base-Backbone interact. energy: -0.045 local terms energy: -61.177065 where: bonds (distance) C4'-P energy: -12.829 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -7.038 flat angles P-C4'-P energy: -12.713 tors. eta vs tors. theta energy: -13.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 91 Temperature: 1.100000 Total energy: -165.681351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.681351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.681351 (E_RNA) where: Base-Base interactions energy: -107.936 where: short stacking energy: -56.528 Base-Backbone interact. energy: -0.175 local terms energy: -57.570223 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -11.476 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -13.597 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: 1 ===================================== Write number: 91 Temperature: 1.150000 Total energy: -160.681262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.681262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.681262 (E_RNA) where: Base-Base interactions energy: -103.018 where: short stacking energy: -47.610 Base-Backbone interact. energy: -0.132 local terms energy: -57.530803 where: bonds (distance) C4'-P energy: -12.740 bonds (distance) P-C4' energy: -10.750 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -10.701 tors. eta vs tors. theta energy: -10.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 91 Temperature: 1.200000 Total energy: -90.637017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.637017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.637017 (E_RNA) where: Base-Base interactions energy: -37.940 where: short stacking energy: -31.404 Base-Backbone interact. energy: -0.023 local terms energy: -52.674446 where: bonds (distance) C4'-P energy: -9.203 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -7.814 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -12.878 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: 5 ===================================== Write number: 91 Temperature: 1.250000 Total energy: -84.843101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.843101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.843101 (E_RNA) where: Base-Base interactions energy: -35.115 where: short stacking energy: -31.909 Base-Backbone interact. energy: -0.089 local terms energy: -49.638313 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -11.844 flat angles P-C4'-P energy: -5.379 tors. eta vs tors. theta energy: -8.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 91 Temperature: 1.300000 Total energy: -76.644358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.644358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.644358 (E_RNA) where: Base-Base interactions energy: -27.465 where: short stacking energy: -27.465 Base-Backbone interact. energy: -0.237 local terms energy: -48.942606 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -10.240 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: 10, replica: 8 ===================================== Write number: 91 Temperature: 1.350000 Total energy: -72.685299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.685299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.685299 (E_RNA) where: Base-Base interactions energy: -36.977 where: short stacking energy: -29.003 Base-Backbone interact. energy: -0.187 local terms energy: -35.521930 where: bonds (distance) C4'-P energy: -10.577 bonds (distance) P-C4' energy: -9.050 flat angles C4'-P-C4' energy: -9.139 flat angles P-C4'-P energy: 0.744 tors. eta vs tors. theta energy: -7.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 92 Temperature: 0.900000 Total energy: -197.159407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.159407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.159407 (E_RNA) where: Base-Base interactions energy: -128.613 where: short stacking energy: -62.265 Base-Backbone interact. energy: -0.030 local terms energy: -68.515716 where: bonds (distance) C4'-P energy: -13.501 bonds (distance) P-C4' energy: -11.631 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -12.048 tors. eta vs tors. theta energy: -15.233 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: 3 ===================================== Write number: 92 Temperature: 0.950000 Total energy: -179.079179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.079179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.079179 (E_RNA) where: Base-Base interactions energy: -116.219 where: short stacking energy: -54.692 Base-Backbone interact. energy: -0.127 local terms energy: -62.732814 where: bonds (distance) C4'-P energy: -10.731 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -11.768 tors. eta vs tors. theta energy: -14.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 92 Temperature: 1.000000 Total energy: -188.304217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.304217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.304217 (E_RNA) where: Base-Base interactions energy: -125.890 where: short stacking energy: -59.953 Base-Backbone interact. energy: -0.119 local terms energy: -62.294982 where: bonds (distance) C4'-P energy: -9.700 bonds (distance) P-C4' energy: -13.406 flat angles C4'-P-C4' energy: -15.602 flat angles P-C4'-P energy: -6.017 tors. eta vs tors. theta energy: -17.570 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: 4, replica: 2 ===================================== Write number: 92 Temperature: 1.050000 Total energy: -190.937580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.937580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.937580 (E_RNA) where: Base-Base interactions energy: -119.689 where: short stacking energy: -58.985 Base-Backbone interact. energy: -0.103 local terms energy: -71.145285 where: bonds (distance) C4'-P energy: -15.645 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -14.978 flat angles P-C4'-P energy: -9.171 tors. eta vs tors. theta energy: -15.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 92 Temperature: 1.100000 Total energy: -172.407794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.407794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.407794 (E_RNA) where: Base-Base interactions energy: -108.119 where: short stacking energy: -51.810 Base-Backbone interact. energy: -0.022 local terms energy: -64.266060 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -14.348 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: 6 ===================================== Write number: 92 Temperature: 1.150000 Total energy: -171.364646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.364646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.364646 (E_RNA) where: Base-Base interactions energy: -119.764 where: short stacking energy: -52.348 Base-Backbone interact. energy: -0.001 local terms energy: -51.600125 where: bonds (distance) C4'-P energy: -10.820 bonds (distance) P-C4' energy: -9.862 flat angles C4'-P-C4' energy: -7.520 flat angles P-C4'-P energy: -3.822 tors. eta vs tors. theta energy: -19.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 92 Temperature: 1.200000 Total energy: -77.321294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.321294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.321294 (E_RNA) where: Base-Base interactions energy: -29.344 where: short stacking energy: -28.152 Base-Backbone interact. energy: -0.178 local terms energy: -47.798797 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -10.912 flat angles C4'-P-C4' energy: -11.871 flat angles P-C4'-P energy: -7.069 tors. eta vs tors. theta energy: -5.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 92 Temperature: 1.250000 Total energy: -93.437961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.437961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.437961 (E_RNA) where: Base-Base interactions energy: -43.072 where: short stacking energy: -37.724 Base-Backbone interact. energy: -0.019 local terms energy: -50.347144 where: bonds (distance) C4'-P energy: -9.113 bonds (distance) P-C4' energy: -12.192 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -10.592 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: 9, replica: 8 ===================================== Write number: 92 Temperature: 1.300000 Total energy: -75.411668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.411668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.411668 (E_RNA) where: Base-Base interactions energy: -32.081 where: short stacking energy: -24.179 Base-Backbone interact. energy: 0.492 local terms energy: -43.823218 where: bonds (distance) C4'-P energy: -13.513 bonds (distance) P-C4' energy: -11.145 flat angles C4'-P-C4' energy: -11.560 flat angles P-C4'-P energy: -5.600 tors. eta vs tors. theta energy: -2.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 92 Temperature: 1.350000 Total energy: -79.385349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.385349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.385349 (E_RNA) where: Base-Base interactions energy: -34.068 where: short stacking energy: -28.600 Base-Backbone interact. energy: 1.548 local terms energy: -46.865395 where: bonds (distance) C4'-P energy: -11.178 bonds (distance) P-C4' energy: -15.690 flat angles C4'-P-C4' energy: -13.971 flat angles P-C4'-P energy: -6.079 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: 1, replica: 9 ===================================== Write number: 93 Temperature: 0.900000 Total energy: -203.289324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.289324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.289324 (E_RNA) where: Base-Base interactions energy: -130.583 where: short stacking energy: -62.168 Base-Backbone interact. energy: -0.060 local terms energy: -72.646781 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -14.402 flat angles P-C4'-P energy: -9.719 tors. eta vs tors. theta energy: -18.414 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: 3 ===================================== Write number: 93 Temperature: 0.950000 Total energy: -182.473435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.473435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.473435 (E_RNA) where: Base-Base interactions energy: -121.412 where: short stacking energy: -48.235 Base-Backbone interact. energy: -0.630 local terms energy: -60.431677 where: bonds (distance) C4'-P energy: -14.189 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -13.237 flat angles P-C4'-P energy: -7.077 tors. eta vs tors. theta energy: -10.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 93 Temperature: 1.000000 Total energy: -187.995663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.995663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.995663 (E_RNA) where: Base-Base interactions energy: -113.918 where: short stacking energy: -56.123 Base-Backbone interact. energy: -0.000 local terms energy: -74.077905 where: bonds (distance) C4'-P energy: -14.843 bonds (distance) P-C4' energy: -15.955 flat angles C4'-P-C4' energy: -15.677 flat angles P-C4'-P energy: -9.858 tors. eta vs tors. theta energy: -17.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 93 Temperature: 1.050000 Total energy: -175.739109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.739109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.739109 (E_RNA) where: Base-Base interactions energy: -109.540 where: short stacking energy: -54.736 Base-Backbone interact. energy: -0.005 local terms energy: -66.194118 where: bonds (distance) C4'-P energy: -12.337 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -12.867 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -17.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 93 Temperature: 1.100000 Total energy: -163.257025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.257025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.257025 (E_RNA) where: Base-Base interactions energy: -98.246 where: short stacking energy: -52.697 Base-Backbone interact. energy: -0.034 local terms energy: -64.976641 where: bonds (distance) C4'-P energy: -14.386 bonds (distance) P-C4' energy: -13.549 flat angles C4'-P-C4' energy: -15.718 flat angles P-C4'-P energy: -8.831 tors. eta vs tors. theta energy: -12.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 93 Temperature: 1.150000 Total energy: -158.411680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.411680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.411680 (E_RNA) where: Base-Base interactions energy: -101.399 where: short stacking energy: -46.335 Base-Backbone interact. energy: -0.665 local terms energy: -56.346892 where: bonds (distance) C4'-P energy: -10.445 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -7.957 tors. eta vs tors. theta energy: -11.995 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: 5 ===================================== Write number: 93 Temperature: 1.200000 Total energy: -85.483069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.483069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.483069 (E_RNA) where: Base-Base interactions energy: -35.384 where: short stacking energy: -31.010 Base-Backbone interact. energy: -0.425 local terms energy: -49.674039 where: bonds (distance) C4'-P energy: -13.637 bonds (distance) P-C4' energy: -13.028 flat angles C4'-P-C4' energy: -9.112 flat angles P-C4'-P energy: -10.420 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: 8, replica: 8 ===================================== Write number: 93 Temperature: 1.250000 Total energy: -75.523470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.523470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.523470 (E_RNA) where: Base-Base interactions energy: -29.422 where: short stacking energy: -29.422 Base-Backbone interact. energy: -0.003 local terms energy: -46.099160 where: bonds (distance) C4'-P energy: -10.350 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -13.919 flat angles P-C4'-P energy: -10.232 tors. eta vs tors. theta energy: -0.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 93 Temperature: 1.300000 Total energy: -91.106277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.106277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.106277 (E_RNA) where: Base-Base interactions energy: -37.407 where: short stacking energy: -29.114 Base-Backbone interact. energy: -0.104 local terms energy: -53.594614 where: bonds (distance) C4'-P energy: -11.506 bonds (distance) P-C4' energy: -16.114 flat angles C4'-P-C4' energy: -16.084 flat angles P-C4'-P energy: -6.109 tors. eta vs tors. theta energy: -3.782 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 93 Temperature: 1.350000 Total energy: -78.585205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.585205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.585205 (E_RNA) where: Base-Base interactions energy: -28.346 where: short stacking energy: -28.346 Base-Backbone interact. energy: -0.065 local terms energy: -50.175053 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -7.216 tors. eta vs tors. theta energy: -5.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 94 Temperature: 0.900000 Total energy: -203.138907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.138907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.138907 (E_RNA) where: Base-Base interactions energy: -133.343 where: short stacking energy: -62.376 Base-Backbone interact. energy: -0.280 local terms energy: -69.516565 where: bonds (distance) C4'-P energy: -13.309 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -11.983 tors. eta vs tors. theta energy: -16.606 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 94 Temperature: 0.950000 Total energy: -189.056990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.056990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.056990 (E_RNA) where: Base-Base interactions energy: -121.774 where: short stacking energy: -59.712 Base-Backbone interact. energy: -0.057 local terms energy: -67.225643 where: bonds (distance) C4'-P energy: -14.967 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -11.161 flat angles P-C4'-P energy: -10.133 tors. eta vs tors. theta energy: -16.460 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: 10 ===================================== Write number: 94 Temperature: 1.000000 Total energy: -187.472641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.472641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.472641 (E_RNA) where: Base-Base interactions energy: -122.393 where: short stacking energy: -49.627 Base-Backbone interact. energy: -0.003 local terms energy: -65.077199 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -12.351 flat angles C4'-P-C4' energy: -16.010 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -13.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 94 Temperature: 1.050000 Total energy: -186.084623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.084623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.084623 (E_RNA) where: Base-Base interactions energy: -119.547 where: short stacking energy: -57.465 Base-Backbone interact. energy: -0.046 local terms energy: -66.492026 where: bonds (distance) C4'-P energy: -8.665 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -14.952 flat angles P-C4'-P energy: -10.916 tors. eta vs tors. theta energy: -17.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 94 Temperature: 1.100000 Total energy: -191.694882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.694882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.694882 (E_RNA) where: Base-Base interactions energy: -123.358 where: short stacking energy: -63.434 Base-Backbone interact. energy: -0.001 local terms energy: -68.336062 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -13.886 flat angles P-C4'-P energy: -8.153 tors. eta vs tors. theta energy: -18.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 94 Temperature: 1.150000 Total energy: -167.427702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.427702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.427702 (E_RNA) where: Base-Base interactions energy: -109.982 where: short stacking energy: -46.430 Base-Backbone interact. energy: 0.176 local terms energy: -57.621289 where: bonds (distance) C4'-P energy: -15.024 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -6.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 94 Temperature: 1.200000 Total energy: -80.194055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.194055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.194055 (E_RNA) where: Base-Base interactions energy: -31.191 where: short stacking energy: -30.336 Base-Backbone interact. energy: 0.492 local terms energy: -49.494822 where: bonds (distance) C4'-P energy: -9.289 bonds (distance) P-C4' energy: -15.188 flat angles C4'-P-C4' energy: -11.889 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -3.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 94 Temperature: 1.250000 Total energy: -102.611961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.611961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.611961 (E_RNA) where: Base-Base interactions energy: -47.062 where: short stacking energy: -34.724 Base-Backbone interact. energy: -0.199 local terms energy: -55.350555 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -5.824 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: 9, replica: 4 ===================================== Write number: 94 Temperature: 1.300000 Total energy: -82.591459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.591459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.591459 (E_RNA) where: Base-Base interactions energy: -31.169 where: short stacking energy: -21.804 Base-Backbone interact. energy: -0.026 local terms energy: -51.396176 where: bonds (distance) C4'-P energy: -12.805 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -12.477 flat angles P-C4'-P energy: -7.241 tors. eta vs tors. theta energy: -4.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 94 Temperature: 1.350000 Total energy: -72.215698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.215698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.215698 (E_RNA) where: Base-Base interactions energy: -26.626 where: short stacking energy: -26.626 Base-Backbone interact. energy: 0.740 local terms energy: -46.329462 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -14.410 flat angles C4'-P-C4' energy: -10.759 flat angles P-C4'-P energy: -7.054 tors. eta vs tors. theta energy: -1.856 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 95 Temperature: 0.900000 Total energy: -199.796346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.796346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.796346 (E_RNA) where: Base-Base interactions energy: -134.638 where: short stacking energy: -58.781 Base-Backbone interact. energy: -0.013 local terms energy: -65.145545 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -13.995 flat angles P-C4'-P energy: -10.873 tors. eta vs tors. theta energy: -13.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 95 Temperature: 0.950000 Total energy: -190.129705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.129705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.129705 (E_RNA) where: Base-Base interactions energy: -122.751 where: short stacking energy: -61.447 Base-Backbone interact. energy: -0.215 local terms energy: -67.163875 where: bonds (distance) C4'-P energy: -12.764 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -9.813 tors. eta vs tors. theta energy: -15.414 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: 3, replica: 3 ===================================== Write number: 95 Temperature: 1.000000 Total energy: -185.687961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.687961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.687961 (E_RNA) where: Base-Base interactions energy: -117.399 where: short stacking energy: -56.062 Base-Backbone interact. energy: -0.008 local terms energy: -68.280885 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -15.259 flat angles P-C4'-P energy: -11.336 tors. eta vs tors. theta energy: -18.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 95 Temperature: 1.050000 Total energy: -184.240208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.240208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.240208 (E_RNA) where: Base-Base interactions energy: -127.069 where: short stacking energy: -45.082 Base-Backbone interact. energy: -0.925 local terms energy: -56.245814 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -11.944 flat angles C4'-P-C4' energy: -13.302 flat angles P-C4'-P energy: -9.892 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: 5, replica: 2 ===================================== Write number: 95 Temperature: 1.100000 Total energy: -170.589881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.589881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.589881 (E_RNA) where: Base-Base interactions energy: -107.894 where: short stacking energy: -46.431 Base-Backbone interact. energy: -0.001 local terms energy: -62.694500 where: bonds (distance) C4'-P energy: -13.876 bonds (distance) P-C4' energy: -11.003 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -8.573 tors. eta vs tors. theta energy: -14.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 95 Temperature: 1.150000 Total energy: -165.253594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.253594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.253594 (E_RNA) where: Base-Base interactions energy: -100.812 where: short stacking energy: -45.202 Base-Backbone interact. energy: -0.030 local terms energy: -64.411929 where: bonds (distance) C4'-P energy: -13.124 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -16.402 flat angles P-C4'-P energy: -8.227 tors. eta vs tors. theta energy: -13.155 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: 5 ===================================== Write number: 95 Temperature: 1.200000 Total energy: -92.235325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.235325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.235325 (E_RNA) where: Base-Base interactions energy: -34.273 where: short stacking energy: -34.273 Base-Backbone interact. energy: 0.138 local terms energy: -58.100817 where: bonds (distance) C4'-P energy: -14.941 bonds (distance) P-C4' energy: -14.769 flat angles C4'-P-C4' energy: -11.913 flat angles P-C4'-P energy: -7.924 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: 8, replica: 4 ===================================== Write number: 95 Temperature: 1.250000 Total energy: -86.824356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.824356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.824356 (E_RNA) where: Base-Base interactions energy: -38.925 where: short stacking energy: -33.317 Base-Backbone interact. energy: -0.328 local terms energy: -47.571984 where: bonds (distance) C4'-P energy: -14.560 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -11.568 flat angles P-C4'-P energy: -5.465 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: 8 ===================================== Write number: 95 Temperature: 1.300000 Total energy: -80.203352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.203352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.203352 (E_RNA) where: Base-Base interactions energy: -33.759 where: short stacking energy: -27.015 Base-Backbone interact. energy: -0.103 local terms energy: -46.341034 where: bonds (distance) C4'-P energy: -11.812 bonds (distance) P-C4' energy: -9.957 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -9.279 tors. eta vs tors. theta energy: -3.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 95 Temperature: 1.350000 Total energy: -80.691896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.691896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.691896 (E_RNA) where: Base-Base interactions energy: -23.989 where: short stacking energy: -23.989 Base-Backbone interact. energy: -0.129 local terms energy: -56.574382 where: bonds (distance) C4'-P energy: -12.926 bonds (distance) P-C4' energy: -14.854 flat angles C4'-P-C4' energy: -13.679 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -5.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 96 Temperature: 0.900000 Total energy: -189.330356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.330356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.330356 (E_RNA) where: Base-Base interactions energy: -119.795 where: short stacking energy: -59.341 Base-Backbone interact. energy: -0.044 local terms energy: -69.491567 where: bonds (distance) C4'-P energy: -15.819 bonds (distance) P-C4' energy: -14.623 flat angles C4'-P-C4' energy: -12.688 flat angles P-C4'-P energy: -9.894 tors. eta vs tors. theta energy: -16.467 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 96 Temperature: 0.950000 Total energy: -199.736337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.736337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.736337 (E_RNA) where: Base-Base interactions energy: -136.730 where: short stacking energy: -60.826 Base-Backbone interact. energy: 1.534 local terms energy: -64.540898 where: bonds (distance) C4'-P energy: -10.885 bonds (distance) P-C4' energy: -10.689 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -12.026 tors. eta vs tors. theta energy: -17.794 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: 96 Temperature: 1.000000 Total energy: -177.416537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.416537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.416537 (E_RNA) where: Base-Base interactions energy: -114.625 where: short stacking energy: -41.774 Base-Backbone interact. energy: -0.578 local terms energy: -62.213655 where: bonds (distance) C4'-P energy: -13.463 bonds (distance) P-C4' energy: -15.607 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -9.320 tors. eta vs tors. theta energy: -11.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 96 Temperature: 1.050000 Total energy: -183.352701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.352701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.352701 (E_RNA) where: Base-Base interactions energy: -111.449 where: short stacking energy: -47.932 Base-Backbone interact. energy: -0.075 local terms energy: -71.828550 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -12.507 flat angles P-C4'-P energy: -12.265 tors. eta vs tors. theta energy: -18.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 96 Temperature: 1.100000 Total energy: -166.914395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.914395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.914395 (E_RNA) where: Base-Base interactions energy: -108.026 where: short stacking energy: -53.132 Base-Backbone interact. energy: -0.091 local terms energy: -58.797988 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -10.925 flat angles P-C4'-P energy: -8.913 tors. eta vs tors. theta energy: -13.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 96 Temperature: 1.150000 Total energy: -165.501308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.501308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.501308 (E_RNA) where: Base-Base interactions energy: -107.970 where: short stacking energy: -41.429 Base-Backbone interact. energy: -0.175 local terms energy: -57.356660 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -10.818 flat angles P-C4'-P energy: -11.100 tors. eta vs tors. theta energy: -8.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 96 Temperature: 1.200000 Total energy: -98.966416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.966416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.966416 (E_RNA) where: Base-Base interactions energy: -44.263 where: short stacking energy: -42.215 Base-Backbone interact. energy: -0.332 local terms energy: -54.371045 where: bonds (distance) C4'-P energy: -7.511 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -13.793 flat angles P-C4'-P energy: -8.562 tors. eta vs tors. theta energy: -8.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 96 Temperature: 1.250000 Total energy: -75.791163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.791163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.791163 (E_RNA) where: Base-Base interactions energy: -30.683 where: short stacking energy: -29.322 Base-Backbone interact. energy: 0.475 local terms energy: -45.583608 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -12.178 flat angles C4'-P-C4' energy: -7.055 flat angles P-C4'-P energy: -8.583 tors. eta vs tors. theta energy: -5.509 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 96 Temperature: 1.300000 Total energy: -93.688062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.688062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.688062 (E_RNA) where: Base-Base interactions energy: -39.899 where: short stacking energy: -26.730 Base-Backbone interact. energy: -0.102 local terms energy: -53.687265 where: bonds (distance) C4'-P energy: -14.158 bonds (distance) P-C4' energy: -15.536 flat angles C4'-P-C4' energy: -11.601 flat angles P-C4'-P energy: -7.705 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: 10, replica: 7 ===================================== Write number: 96 Temperature: 1.350000 Total energy: -75.060329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.060329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.060329 (E_RNA) where: Base-Base interactions energy: -27.696 where: short stacking energy: -18.358 Base-Backbone interact. energy: -0.300 local terms energy: -47.064201 where: bonds (distance) C4'-P energy: -15.189 bonds (distance) P-C4' energy: -16.023 flat angles C4'-P-C4' energy: -6.312 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -1.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 97 Temperature: 0.900000 Total energy: -191.366073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.366073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.366073 (E_RNA) where: Base-Base interactions energy: -124.509 where: short stacking energy: -46.462 Base-Backbone interact. energy: -0.085 local terms energy: -66.772860 where: bonds (distance) C4'-P energy: -15.305 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -8.590 tors. eta vs tors. theta energy: -14.556 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: 2, replica: 9 ===================================== Write number: 97 Temperature: 0.950000 Total energy: -206.045003 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.045003 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.045003 (E_RNA) where: Base-Base interactions energy: -135.431 where: short stacking energy: -65.310 Base-Backbone interact. energy: -0.003 local terms energy: -70.611149 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -15.425 flat angles P-C4'-P energy: -10.137 tors. eta vs tors. theta energy: -17.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 97 Temperature: 1.000000 Total energy: -176.793862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.793862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.793862 (E_RNA) where: Base-Base interactions energy: -110.448 where: short stacking energy: -48.385 Base-Backbone interact. energy: -0.100 local terms energy: -66.246419 where: bonds (distance) C4'-P energy: -13.705 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -16.465 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: -12.664 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: 97 Temperature: 1.050000 Total energy: -176.089043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.089043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.089043 (E_RNA) where: Base-Base interactions energy: -113.008 where: short stacking energy: -47.223 Base-Backbone interact. energy: -0.132 local terms energy: -62.949395 where: bonds (distance) C4'-P energy: -11.166 bonds (distance) P-C4' energy: -13.236 flat angles C4'-P-C4' energy: -14.286 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -15.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 97 Temperature: 1.100000 Total energy: -179.010065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.010065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.010065 (E_RNA) where: Base-Base interactions energy: -112.527 where: short stacking energy: -54.837 Base-Backbone interact. energy: 0.750 local terms energy: -67.233448 where: bonds (distance) C4'-P energy: -13.989 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -14.105 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -15.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 97 Temperature: 1.150000 Total energy: -159.273623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.273623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.273623 (E_RNA) where: Base-Base interactions energy: -99.140 where: short stacking energy: -39.194 Base-Backbone interact. energy: -0.080 local terms energy: -60.054329 where: bonds (distance) C4'-P energy: -13.440 bonds (distance) P-C4' energy: -12.523 flat angles C4'-P-C4' energy: -11.223 flat angles P-C4'-P energy: -11.337 tors. eta vs tors. theta energy: -11.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 97 Temperature: 1.200000 Total energy: -92.647557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.647557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.647557 (E_RNA) where: Base-Base interactions energy: -37.059 where: short stacking energy: -37.059 Base-Backbone interact. energy: -0.080 local terms energy: -55.509013 where: bonds (distance) C4'-P energy: -9.540 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -15.094 flat angles P-C4'-P energy: -7.188 tors. eta vs tors. theta energy: -9.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 97 Temperature: 1.250000 Total energy: -81.484887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.484887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.484887 (E_RNA) where: Base-Base interactions energy: -28.573 where: short stacking energy: -28.573 Base-Backbone interact. energy: -0.070 local terms energy: -52.841861 where: bonds (distance) C4'-P energy: -14.979 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -7.578 flat angles P-C4'-P energy: -7.775 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: 9, replica: 5 ===================================== Write number: 97 Temperature: 1.300000 Total energy: -85.730941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.730941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.730941 (E_RNA) where: Base-Base interactions energy: -31.725 where: short stacking energy: -31.725 Base-Backbone interact. energy: -0.151 local terms energy: -53.855395 where: bonds (distance) C4'-P energy: -10.969 bonds (distance) P-C4' energy: -14.606 flat angles C4'-P-C4' energy: -14.998 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -5.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 97 Temperature: 1.350000 Total energy: -73.177405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.177405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.177405 (E_RNA) where: Base-Base interactions energy: -30.495 where: short stacking energy: -30.002 Base-Backbone interact. energy: -0.254 local terms energy: -42.427997 where: bonds (distance) C4'-P energy: -11.469 bonds (distance) P-C4' energy: -11.747 flat angles C4'-P-C4' energy: -9.779 flat angles P-C4'-P energy: -8.731 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: 1, replica: 9 ===================================== Write number: 98 Temperature: 0.900000 Total energy: -212.961664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.961664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.961664 (E_RNA) where: Base-Base interactions energy: -139.370 where: short stacking energy: -59.671 Base-Backbone interact. energy: -0.290 local terms energy: -73.301729 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -15.758 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -18.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 98 Temperature: 0.950000 Total energy: -187.950471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.950471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.950471 (E_RNA) where: Base-Base interactions energy: -119.638 where: short stacking energy: -60.868 Base-Backbone interact. energy: -0.003 local terms energy: -68.310116 where: bonds (distance) C4'-P energy: -14.995 bonds (distance) P-C4' energy: -15.441 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -17.833 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: 2 ===================================== Write number: 98 Temperature: 1.000000 Total energy: -197.446564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.446564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.446564 (E_RNA) where: Base-Base interactions energy: -123.709 where: short stacking energy: -56.605 Base-Backbone interact. energy: -0.354 local terms energy: -73.383960 where: bonds (distance) C4'-P energy: -13.638 bonds (distance) P-C4' energy: -16.185 flat angles C4'-P-C4' energy: -14.381 flat angles P-C4'-P energy: -11.988 tors. eta vs tors. theta energy: -17.192 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: 1 ===================================== Write number: 98 Temperature: 1.050000 Total energy: -193.934960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.934960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.934960 (E_RNA) where: Base-Base interactions energy: -126.057 where: short stacking energy: -56.187 Base-Backbone interact. energy: -0.005 local terms energy: -67.872476 where: bonds (distance) C4'-P energy: -13.385 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -14.015 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -17.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 98 Temperature: 1.100000 Total energy: -171.132896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.132896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.132896 (E_RNA) where: Base-Base interactions energy: -104.255 where: short stacking energy: -55.941 Base-Backbone interact. energy: -0.008 local terms energy: -66.870061 where: bonds (distance) C4'-P energy: -13.835 bonds (distance) P-C4' energy: -13.070 flat angles C4'-P-C4' energy: -14.372 flat angles P-C4'-P energy: -11.119 tors. eta vs tors. theta energy: -14.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 98 Temperature: 1.150000 Total energy: -168.347184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.347184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.347184 (E_RNA) where: Base-Base interactions energy: -114.339 where: short stacking energy: -50.335 Base-Backbone interact. energy: -0.048 local terms energy: -53.960286 where: bonds (distance) C4'-P energy: -12.349 bonds (distance) P-C4' energy: -11.473 flat angles C4'-P-C4' energy: -8.579 flat angles P-C4'-P energy: -5.262 tors. eta vs tors. theta energy: -16.296 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 98 Temperature: 1.200000 Total energy: -91.212598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.212598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.212598 (E_RNA) where: Base-Base interactions energy: -33.074 where: short stacking energy: -21.600 Base-Backbone interact. energy: -0.213 local terms energy: -57.924983 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -12.797 flat angles P-C4'-P energy: -9.489 tors. eta vs tors. theta energy: -5.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 98 Temperature: 1.250000 Total energy: -76.586355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.586355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.586355 (E_RNA) where: Base-Base interactions energy: -35.628 where: short stacking energy: -27.782 Base-Backbone interact. energy: -0.169 local terms energy: -40.789701 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -3.928 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: 9, replica: 7 ===================================== Write number: 98 Temperature: 1.300000 Total energy: -78.118699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.118699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.118699 (E_RNA) where: Base-Base interactions energy: -41.347 where: short stacking energy: -15.087 Base-Backbone interact. energy: -0.028 local terms energy: -36.744321 where: bonds (distance) C4'-P energy: -7.937 bonds (distance) P-C4' energy: -15.245 flat angles C4'-P-C4' energy: -4.889 flat angles P-C4'-P energy: -9.864 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: 5 ===================================== Write number: 98 Temperature: 1.350000 Total energy: -73.427045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.427045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.427045 (E_RNA) where: Base-Base interactions energy: -28.707 where: short stacking energy: -28.707 Base-Backbone interact. energy: -0.158 local terms energy: -44.562222 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -9.241 flat angles C4'-P-C4' energy: -11.933 flat angles P-C4'-P energy: -9.769 tors. eta vs tors. theta energy: -4.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 99 Temperature: 0.900000 Total energy: -210.130494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.130494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.130494 (E_RNA) where: Base-Base interactions energy: -134.138 where: short stacking energy: -67.718 Base-Backbone interact. energy: -0.230 local terms energy: -75.762310 where: bonds (distance) C4'-P energy: -15.766 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -13.821 flat angles P-C4'-P energy: -12.991 tors. eta vs tors. theta energy: -19.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 99 Temperature: 0.950000 Total energy: -195.775075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.775075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.775075 (E_RNA) where: Base-Base interactions energy: -128.819 where: short stacking energy: -55.468 Base-Backbone interact. energy: -0.131 local terms energy: -66.824609 where: bonds (distance) C4'-P energy: -10.760 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -14.512 flat angles P-C4'-P energy: -8.708 tors. eta vs tors. theta energy: -17.741 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: 10 ===================================== Write number: 99 Temperature: 1.000000 Total energy: -184.609807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.609807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.609807 (E_RNA) where: Base-Base interactions energy: -120.278 where: short stacking energy: -60.227 Base-Backbone interact. energy: -0.041 local terms energy: -64.291338 where: bonds (distance) C4'-P energy: -9.411 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -16.112 flat angles P-C4'-P energy: -9.344 tors. eta vs tors. theta energy: -15.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 99 Temperature: 1.050000 Total energy: -176.246415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.246415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.246415 (E_RNA) where: Base-Base interactions energy: -116.546 where: short stacking energy: -55.009 Base-Backbone interact. energy: 0.603 local terms energy: -60.303438 where: bonds (distance) C4'-P energy: -10.873 bonds (distance) P-C4' energy: -12.331 flat angles C4'-P-C4' energy: -13.702 flat angles P-C4'-P energy: -8.602 tors. eta vs tors. theta energy: -14.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 99 Temperature: 1.100000 Total energy: -178.175160 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.175160 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.175160 (E_RNA) where: Base-Base interactions energy: -105.740 where: short stacking energy: -48.013 Base-Backbone interact. energy: -1.208 local terms energy: -71.226513 where: bonds (distance) C4'-P energy: -16.179 bonds (distance) P-C4' energy: -16.908 flat angles C4'-P-C4' energy: -15.212 flat angles P-C4'-P energy: -10.813 tors. eta vs tors. theta energy: -12.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 99 Temperature: 1.150000 Total energy: -172.392319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.392319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.392319 (E_RNA) where: Base-Base interactions energy: -116.849 where: short stacking energy: -52.793 Base-Backbone interact. energy: -0.196 local terms energy: -55.347171 where: bonds (distance) C4'-P energy: -10.883 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -11.408 flat angles P-C4'-P energy: -6.887 tors. eta vs tors. theta energy: -13.530 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: 8 ===================================== Write number: 99 Temperature: 1.200000 Total energy: -82.018212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.018212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.018212 (E_RNA) where: Base-Base interactions energy: -39.699 where: short stacking energy: -22.018 Base-Backbone interact. energy: 0.045 local terms energy: -42.364279 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -13.368 flat angles C4'-P-C4' energy: -8.326 flat angles P-C4'-P energy: -4.807 tors. eta vs tors. theta energy: -1.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 99 Temperature: 1.250000 Total energy: -83.676364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.676364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.676364 (E_RNA) where: Base-Base interactions energy: -29.452 where: short stacking energy: -28.216 Base-Backbone interact. energy: -0.201 local terms energy: -54.023350 where: bonds (distance) C4'-P energy: -14.855 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -13.009 flat angles P-C4'-P energy: -11.044 tors. eta vs tors. theta energy: -4.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 99 Temperature: 1.300000 Total energy: -73.321874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.321874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.321874 (E_RNA) where: Base-Base interactions energy: -29.821 where: short stacking energy: -26.940 Base-Backbone interact. energy: -0.142 local terms energy: -43.358391 where: bonds (distance) C4'-P energy: -10.523 bonds (distance) P-C4' energy: -10.513 flat angles C4'-P-C4' energy: -12.162 flat angles P-C4'-P energy: -6.884 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: 10, replica: 5 ===================================== Write number: 99 Temperature: 1.350000 Total energy: -76.145908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.145908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.145908 (E_RNA) where: Base-Base interactions energy: -25.485 where: short stacking energy: -24.693 Base-Backbone interact. energy: -0.044 local terms energy: -50.617669 where: bonds (distance) C4'-P energy: -7.522 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -11.063 tors. eta vs tors. theta energy: -5.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 100 Temperature: 0.900000 Total energy: -218.659759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.659759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.659759 (E_RNA) where: Base-Base interactions energy: -145.323 where: short stacking energy: -65.704 Base-Backbone interact. energy: -0.128 local terms energy: -73.209083 where: bonds (distance) C4'-P energy: -11.596 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -15.135 flat angles P-C4'-P energy: -11.627 tors. eta vs tors. theta energy: -18.873 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: 100 Temperature: 0.950000 Total energy: -185.746456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.746456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.746456 (E_RNA) where: Base-Base interactions energy: -121.726 where: short stacking energy: -54.741 Base-Backbone interact. energy: -0.853 local terms energy: -63.167557 where: bonds (distance) C4'-P energy: -12.815 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -10.566 flat angles P-C4'-P energy: -9.184 tors. eta vs tors. theta energy: -15.090 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: 3, replica: 10 ===================================== Write number: 100 Temperature: 1.000000 Total energy: -198.798664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.798664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.798664 (E_RNA) where: Base-Base interactions energy: -130.283 where: short stacking energy: -61.115 Base-Backbone interact. energy: -0.063 local terms energy: -68.452655 where: bonds (distance) C4'-P energy: -13.638 bonds (distance) P-C4' energy: -11.625 flat angles C4'-P-C4' energy: -13.587 flat angles P-C4'-P energy: -10.647 tors. eta vs tors. theta energy: -18.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 100 Temperature: 1.050000 Total energy: -170.183408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.183408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.183408 (E_RNA) where: Base-Base interactions energy: -108.532 where: short stacking energy: -42.168 Base-Backbone interact. energy: -1.111 local terms energy: -60.540124 where: bonds (distance) C4'-P energy: -14.213 bonds (distance) P-C4' energy: -12.541 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -9.737 tors. eta vs tors. theta energy: -12.364 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: 3 ===================================== Write number: 100 Temperature: 1.100000 Total energy: -159.702266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.702266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.702266 (E_RNA) where: Base-Base interactions energy: -99.098 where: short stacking energy: -47.642 Base-Backbone interact. energy: -0.577 local terms energy: -60.026770 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -12.840 flat angles P-C4'-P energy: -12.919 tors. eta vs tors. theta energy: -6.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 100 Temperature: 1.150000 Total energy: -167.518222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.518222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.518222 (E_RNA) where: Base-Base interactions energy: -111.571 where: short stacking energy: -55.245 Base-Backbone interact. energy: -0.900 local terms energy: -55.047589 where: bonds (distance) C4'-P energy: -9.970 bonds (distance) P-C4' energy: -11.698 flat angles C4'-P-C4' energy: -10.392 flat angles P-C4'-P energy: -8.995 tors. eta vs tors. theta energy: -13.993 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: 7 ===================================== Write number: 100 Temperature: 1.200000 Total energy: -87.520373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.520373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.520373 (E_RNA) where: Base-Base interactions energy: -40.441 where: short stacking energy: -33.140 Base-Backbone interact. energy: -0.030 local terms energy: -47.049159 where: bonds (distance) C4'-P energy: -10.476 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -10.766 flat angles P-C4'-P energy: -6.477 tors. eta vs tors. theta energy: -6.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 100 Temperature: 1.250000 Total energy: -80.657544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.657544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.657544 (E_RNA) where: Base-Base interactions energy: -34.170 where: short stacking energy: -33.522 Base-Backbone interact. energy: -0.122 local terms energy: -46.366192 where: bonds (distance) C4'-P energy: -12.920 bonds (distance) P-C4' energy: -10.887 flat angles C4'-P-C4' energy: -10.005 flat angles P-C4'-P energy: -5.797 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: 5 ===================================== Write number: 100 Temperature: 1.300000 Total energy: -72.660467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.660467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.660467 (E_RNA) where: Base-Base interactions energy: -29.803 where: short stacking energy: -18.578 Base-Backbone interact. energy: -0.323 local terms energy: -42.534950 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -5.497 flat angles P-C4'-P energy: -9.985 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: 4 ===================================== Write number: 100 Temperature: 1.350000 Total energy: -77.149215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.149215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.149215 (E_RNA) where: Base-Base interactions energy: -38.516 where: short stacking energy: -29.820 Base-Backbone interact. energy: -0.106 local terms energy: -38.527620 where: bonds (distance) C4'-P energy: -9.223 bonds (distance) P-C4' energy: -12.753 flat angles C4'-P-C4' energy: -11.238 flat angles P-C4'-P energy: -1.726 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: 1, replica: 9 ===================================== Write number: 101 Temperature: 0.900000 Total energy: -213.413552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.413552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.413552 (E_RNA) where: Base-Base interactions energy: -135.896 where: short stacking energy: -60.911 Base-Backbone interact. energy: -0.354 local terms energy: -77.163168 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -15.533 flat angles P-C4'-P energy: -12.369 tors. eta vs tors. theta energy: -19.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 101 Temperature: 0.950000 Total energy: -191.954965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.954965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.954965 (E_RNA) where: Base-Base interactions energy: -127.352 where: short stacking energy: -65.851 Base-Backbone interact. energy: -0.071 local terms energy: -64.531827 where: bonds (distance) C4'-P energy: -9.667 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -13.939 flat angles P-C4'-P energy: -8.358 tors. eta vs tors. theta energy: -18.419 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: 2 ===================================== Write number: 101 Temperature: 1.000000 Total energy: -185.515511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.515511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.515511 (E_RNA) where: Base-Base interactions energy: -120.218 where: short stacking energy: -51.426 Base-Backbone interact. energy: -0.001 local terms energy: -65.295986 where: bonds (distance) C4'-P energy: -14.395 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -14.041 flat angles P-C4'-P energy: -3.800 tors. eta vs tors. theta energy: -19.010 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: 3 ===================================== Write number: 101 Temperature: 1.050000 Total energy: -161.759240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.759240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.759240 (E_RNA) where: Base-Base interactions energy: -112.537 where: short stacking energy: -49.194 Base-Backbone interact. energy: -0.358 local terms energy: -48.863545 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -7.198 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -8.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 101 Temperature: 1.100000 Total energy: -176.583977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.583977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.583977 (E_RNA) where: Base-Base interactions energy: -116.297 where: short stacking energy: -54.702 Base-Backbone interact. energy: -0.012 local terms energy: -60.274536 where: bonds (distance) C4'-P energy: -14.643 bonds (distance) P-C4' energy: -12.189 flat angles C4'-P-C4' energy: -14.190 flat angles P-C4'-P energy: -5.433 tors. eta vs tors. theta energy: -13.819 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: 6, replica: 1 ===================================== Write number: 101 Temperature: 1.150000 Total energy: -169.104982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.104982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.104982 (E_RNA) where: Base-Base interactions energy: -107.878 where: short stacking energy: -55.342 Base-Backbone interact. energy: -0.025 local terms energy: -61.202115 where: bonds (distance) C4'-P energy: -6.149 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -11.260 tors. eta vs tors. theta energy: -16.364 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: 101 Temperature: 1.200000 Total energy: -93.109826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.109826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.109826 (E_RNA) where: Base-Base interactions energy: -47.043 where: short stacking energy: -21.164 Base-Backbone interact. energy: -0.071 local terms energy: -45.996183 where: bonds (distance) C4'-P energy: -12.083 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -10.500 flat angles P-C4'-P energy: -5.555 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: 8, replica: 5 ===================================== Write number: 101 Temperature: 1.250000 Total energy: -87.267590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.267590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.267590 (E_RNA) where: Base-Base interactions energy: -41.186 where: short stacking energy: -32.022 Base-Backbone interact. energy: -0.110 local terms energy: -45.972223 where: bonds (distance) C4'-P energy: -15.400 bonds (distance) P-C4' energy: -8.895 flat angles C4'-P-C4' energy: -6.928 flat angles P-C4'-P energy: -9.094 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: 9, replica: 8 ===================================== Write number: 101 Temperature: 1.300000 Total energy: -87.455863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.455863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.455863 (E_RNA) where: Base-Base interactions energy: -42.841 where: short stacking energy: -27.854 Base-Backbone interact. energy: -0.053 local terms energy: -44.561781 where: bonds (distance) C4'-P energy: -10.631 bonds (distance) P-C4' energy: -12.690 flat angles C4'-P-C4' energy: -12.577 flat angles P-C4'-P energy: -5.422 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: 10, replica: 4 ===================================== Write number: 101 Temperature: 1.350000 Total energy: -74.611725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.611725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.611725 (E_RNA) where: Base-Base interactions energy: -31.335 where: short stacking energy: -29.024 Base-Backbone interact. energy: -0.100 local terms energy: -43.176672 where: bonds (distance) C4'-P energy: -11.572 bonds (distance) P-C4' energy: -11.396 flat angles C4'-P-C4' energy: -8.719 flat angles P-C4'-P energy: -3.483 tors. eta vs tors. theta energy: -8.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 102 Temperature: 0.900000 Total energy: -206.742184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.742184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.742184 (E_RNA) where: Base-Base interactions energy: -141.472 where: short stacking energy: -66.573 Base-Backbone interact. energy: -0.013 local terms energy: -65.257218 where: bonds (distance) C4'-P energy: -14.930 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -21.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 102 Temperature: 0.950000 Total energy: -192.580602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.580602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.580602 (E_RNA) where: Base-Base interactions energy: -128.236 where: short stacking energy: -61.383 Base-Backbone interact. energy: -0.006 local terms energy: -64.338030 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -11.225 flat angles C4'-P-C4' energy: -14.506 flat angles P-C4'-P energy: -8.024 tors. eta vs tors. theta energy: -16.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 102 Temperature: 1.000000 Total energy: -191.675382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.675382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.675382 (E_RNA) where: Base-Base interactions energy: -133.795 where: short stacking energy: -59.550 Base-Backbone interact. energy: -1.929 local terms energy: -55.951572 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -12.031 flat angles C4'-P-C4' energy: -6.692 flat angles P-C4'-P energy: -8.086 tors. eta vs tors. theta energy: -18.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 102 Temperature: 1.050000 Total energy: -182.090691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.090691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.090691 (E_RNA) where: Base-Base interactions energy: -120.080 where: short stacking energy: -48.455 Base-Backbone interact. energy: 0.332 local terms energy: -62.342985 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -13.191 flat angles C4'-P-C4' energy: -15.110 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -15.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 102 Temperature: 1.100000 Total energy: -176.012929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.012929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.012929 (E_RNA) where: Base-Base interactions energy: -115.063 where: short stacking energy: -48.936 Base-Backbone interact. energy: -0.039 local terms energy: -60.910819 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -11.050 flat angles P-C4'-P energy: -8.695 tors. eta vs tors. theta energy: -14.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 102 Temperature: 1.150000 Total energy: -161.424843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.424843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.424843 (E_RNA) where: Base-Base interactions energy: -100.593 where: short stacking energy: -46.133 Base-Backbone interact. energy: -0.069 local terms energy: -60.763006 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -14.651 flat angles C4'-P-C4' energy: -11.236 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -10.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 102 Temperature: 1.200000 Total energy: -93.255845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.255845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.255845 (E_RNA) where: Base-Base interactions energy: -52.244 where: short stacking energy: -27.150 Base-Backbone interact. energy: -0.047 local terms energy: -40.965066 where: bonds (distance) C4'-P energy: -7.565 bonds (distance) P-C4' energy: -11.240 flat angles C4'-P-C4' energy: -11.976 flat angles P-C4'-P energy: -6.826 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: 8, replica: 5 ===================================== Write number: 102 Temperature: 1.250000 Total energy: -80.101415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.101415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.101415 (E_RNA) where: Base-Base interactions energy: -35.125 where: short stacking energy: -30.233 Base-Backbone interact. energy: -1.110 local terms energy: -43.866738 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -10.725 flat angles C4'-P-C4' energy: -8.011 flat angles P-C4'-P energy: -5.717 tors. eta vs tors. theta energy: -4.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 102 Temperature: 1.300000 Total energy: -83.990338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.990338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.990338 (E_RNA) where: Base-Base interactions energy: -39.761 where: short stacking energy: -29.693 Base-Backbone interact. energy: -0.123 local terms energy: -44.106519 where: bonds (distance) C4'-P energy: -12.572 bonds (distance) P-C4' energy: -12.426 flat angles C4'-P-C4' energy: -10.562 flat angles P-C4'-P energy: -9.763 tors. eta vs tors. theta energy: 1.217 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: 10, replica: 8 ===================================== Write number: 102 Temperature: 1.350000 Total energy: -71.953067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.953067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.953067 (E_RNA) where: Base-Base interactions energy: -27.506 where: short stacking energy: -24.086 Base-Backbone interact. energy: -1.564 local terms energy: -42.883332 where: bonds (distance) C4'-P energy: -9.356 bonds (distance) P-C4' energy: -8.141 flat angles C4'-P-C4' energy: -13.899 flat angles P-C4'-P energy: -11.400 tors. eta vs tors. theta energy: -0.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 103 Temperature: 0.900000 Total energy: -217.440862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.440862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.440862 (E_RNA) where: Base-Base interactions energy: -142.199 where: short stacking energy: -65.253 Base-Backbone interact. energy: -0.096 local terms energy: -75.146302 where: bonds (distance) C4'-P energy: -12.838 bonds (distance) P-C4' energy: -16.589 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -11.275 tors. eta vs tors. theta energy: -19.422 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: 2, replica: 2 ===================================== Write number: 103 Temperature: 0.950000 Total energy: -185.513605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.513605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.513605 (E_RNA) where: Base-Base interactions energy: -118.541 where: short stacking energy: -58.789 Base-Backbone interact. energy: -0.198 local terms energy: -66.774756 where: bonds (distance) C4'-P energy: -12.345 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -8.072 tors. eta vs tors. theta energy: -16.320 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: 10 ===================================== Write number: 103 Temperature: 1.000000 Total energy: -185.426830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.426830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.426830 (E_RNA) where: Base-Base interactions energy: -120.355 where: short stacking energy: -55.759 Base-Backbone interact. energy: -0.007 local terms energy: -65.064258 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -15.015 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -9.196 tors. eta vs tors. theta energy: -14.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 103 Temperature: 1.050000 Total energy: -188.114532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.114532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.114532 (E_RNA) where: Base-Base interactions energy: -126.648 where: short stacking energy: -53.716 Base-Backbone interact. energy: -0.118 local terms energy: -61.348319 where: bonds (distance) C4'-P energy: -10.566 bonds (distance) P-C4' energy: -10.635 flat angles C4'-P-C4' energy: -12.537 flat angles P-C4'-P energy: -11.644 tors. eta vs tors. theta energy: -15.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 103 Temperature: 1.100000 Total energy: -180.072052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.072052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.072052 (E_RNA) where: Base-Base interactions energy: -116.256 where: short stacking energy: -53.337 Base-Backbone interact. energy: -0.194 local terms energy: -63.621603 where: bonds (distance) C4'-P energy: -14.067 bonds (distance) P-C4' energy: -12.918 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -12.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 103 Temperature: 1.150000 Total energy: -96.677875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.677875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.677875 (E_RNA) where: Base-Base interactions energy: -38.012 where: short stacking energy: -38.012 Base-Backbone interact. energy: -0.106 local terms energy: -58.560501 where: bonds (distance) C4'-P energy: -9.451 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -14.565 flat angles P-C4'-P energy: -9.534 tors. eta vs tors. theta energy: -10.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 103 Temperature: 1.200000 Total energy: -154.127238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.127238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.127238 (E_RNA) where: Base-Base interactions energy: -99.297 where: short stacking energy: -44.136 Base-Backbone interact. energy: 1.525 local terms energy: -56.355022 where: bonds (distance) C4'-P energy: -6.641 bonds (distance) P-C4' energy: -15.326 flat angles C4'-P-C4' energy: -10.338 flat angles P-C4'-P energy: -9.229 tors. eta vs tors. theta energy: -14.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 103 Temperature: 1.250000 Total energy: -83.938955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.938955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.938955 (E_RNA) where: Base-Base interactions energy: -41.047 where: short stacking energy: -29.877 Base-Backbone interact. energy: -0.188 local terms energy: -42.704520 where: bonds (distance) C4'-P energy: -10.865 bonds (distance) P-C4' energy: -12.392 flat angles C4'-P-C4' energy: -13.410 flat angles P-C4'-P energy: -3.901 tors. eta vs tors. theta energy: -2.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 103 Temperature: 1.300000 Total energy: -70.852506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.852506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.852506 (E_RNA) where: Base-Base interactions energy: -32.998 where: short stacking energy: -20.278 Base-Backbone interact. energy: -0.256 local terms energy: -37.598138 where: bonds (distance) C4'-P energy: -10.544 bonds (distance) P-C4' energy: -9.524 flat angles C4'-P-C4' energy: -11.720 flat angles P-C4'-P energy: -7.359 tors. eta vs tors. theta energy: 1.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 103 Temperature: 1.350000 Total energy: -71.952939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.952939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.952939 (E_RNA) where: Base-Base interactions energy: -28.110 where: short stacking energy: -28.110 Base-Backbone interact. energy: -0.053 local terms energy: -43.790114 where: bonds (distance) C4'-P energy: -9.585 bonds (distance) P-C4' energy: -15.188 flat angles C4'-P-C4' energy: -9.944 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -2.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 104 Temperature: 0.900000 Total energy: -211.658502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.658502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.658502 (E_RNA) where: Base-Base interactions energy: -141.136 where: short stacking energy: -64.813 Base-Backbone interact. energy: -0.006 local terms energy: -70.516421 where: bonds (distance) C4'-P energy: -14.659 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -14.709 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: -17.859 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: 2 ===================================== Write number: 104 Temperature: 0.950000 Total energy: -192.109703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.109703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.109703 (E_RNA) where: Base-Base interactions energy: -124.142 where: short stacking energy: -56.903 Base-Backbone interact. energy: -0.035 local terms energy: -67.932760 where: bonds (distance) C4'-P energy: -12.839 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -14.295 flat angles P-C4'-P energy: -9.444 tors. eta vs tors. theta energy: -18.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 104 Temperature: 1.000000 Total energy: -187.115792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.115792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.115792 (E_RNA) where: Base-Base interactions energy: -116.941 where: short stacking energy: -64.404 Base-Backbone interact. energy: -0.139 local terms energy: -70.035614 where: bonds (distance) C4'-P energy: -14.939 bonds (distance) P-C4' energy: -12.245 flat angles C4'-P-C4' energy: -15.197 flat angles P-C4'-P energy: -9.786 tors. eta vs tors. theta energy: -17.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 104 Temperature: 1.050000 Total energy: -181.222579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.222579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.222579 (E_RNA) where: Base-Base interactions energy: -122.048 where: short stacking energy: -51.403 Base-Backbone interact. energy: -0.036 local terms energy: -59.138239 where: bonds (distance) C4'-P energy: -13.912 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -12.557 flat angles P-C4'-P energy: -6.907 tors. eta vs tors. theta energy: -13.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 104 Temperature: 1.100000 Total energy: -169.780098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.780098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.780098 (E_RNA) where: Base-Base interactions energy: -112.005 where: short stacking energy: -55.814 Base-Backbone interact. energy: -0.117 local terms energy: -57.658326 where: bonds (distance) C4'-P energy: -13.526 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -9.620 flat angles P-C4'-P energy: -9.261 tors. eta vs tors. theta energy: -8.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 104 Temperature: 1.150000 Total energy: -101.212933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.212933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.212933 (E_RNA) where: Base-Base interactions energy: -49.240 where: short stacking energy: -39.306 Base-Backbone interact. energy: -0.015 local terms energy: -51.958346 where: bonds (distance) C4'-P energy: -14.350 bonds (distance) P-C4' energy: -11.387 flat angles C4'-P-C4' energy: -12.539 flat angles P-C4'-P energy: -6.516 tors. eta vs tors. theta energy: -7.167 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 104 Temperature: 1.200000 Total energy: -168.529453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.529453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.529453 (E_RNA) where: Base-Base interactions energy: -104.540 where: short stacking energy: -53.179 Base-Backbone interact. energy: -0.128 local terms energy: -63.861314 where: bonds (distance) C4'-P energy: -13.164 bonds (distance) P-C4' energy: -14.299 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -6.523 tors. eta vs tors. theta energy: -14.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 104 Temperature: 1.250000 Total energy: -89.327450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.327450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.327450 (E_RNA) where: Base-Base interactions energy: -47.616 where: short stacking energy: -21.215 Base-Backbone interact. energy: -0.403 local terms energy: -41.308525 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -10.270 flat angles P-C4'-P energy: -7.659 tors. eta vs tors. theta energy: -2.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 104 Temperature: 1.300000 Total energy: -83.202090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.202090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.202090 (E_RNA) where: Base-Base interactions energy: -35.706 where: short stacking energy: -15.840 Base-Backbone interact. energy: -0.626 local terms energy: -46.869865 where: bonds (distance) C4'-P energy: -10.039 bonds (distance) P-C4' energy: -14.933 flat angles C4'-P-C4' energy: -12.284 flat angles P-C4'-P energy: -7.418 tors. eta vs tors. theta energy: -2.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 104 Temperature: 1.350000 Total energy: -67.312958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.312958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.312958 (E_RNA) where: Base-Base interactions energy: -23.371 where: short stacking energy: -15.693 Base-Backbone interact. energy: -0.153 local terms energy: -43.788111 where: bonds (distance) C4'-P energy: -8.283 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -12.273 flat angles P-C4'-P energy: -5.198 tors. eta vs tors. theta energy: -2.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 105 Temperature: 0.900000 Total energy: -215.868348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.868348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.868348 (E_RNA) where: Base-Base interactions energy: -146.575 where: short stacking energy: -69.460 Base-Backbone interact. energy: -0.014 local terms energy: -69.278836 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -11.805 flat angles C4'-P-C4' energy: -16.555 flat angles P-C4'-P energy: -13.027 tors. eta vs tors. theta energy: -17.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 105 Temperature: 0.950000 Total energy: -187.371047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.371047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.371047 (E_RNA) where: Base-Base interactions energy: -120.114 where: short stacking energy: -56.664 Base-Backbone interact. energy: -0.003 local terms energy: -67.254203 where: bonds (distance) C4'-P energy: -12.842 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -12.912 flat angles P-C4'-P energy: -9.668 tors. eta vs tors. theta energy: -16.700 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 105 Temperature: 1.000000 Total energy: -189.198056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.198056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.198056 (E_RNA) where: Base-Base interactions energy: -125.456 where: short stacking energy: -53.818 Base-Backbone interact. energy: -0.979 local terms energy: -62.762192 where: bonds (distance) C4'-P energy: -14.147 bonds (distance) P-C4' energy: -8.702 flat angles C4'-P-C4' energy: -12.587 flat angles P-C4'-P energy: -7.165 tors. eta vs tors. theta energy: -20.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 105 Temperature: 1.050000 Total energy: -172.744441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.744441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.744441 (E_RNA) where: Base-Base interactions energy: -124.034 where: short stacking energy: -46.855 Base-Backbone interact. energy: 0.092 local terms energy: -48.801963 where: bonds (distance) C4'-P energy: -6.292 bonds (distance) P-C4' energy: -11.739 flat angles C4'-P-C4' energy: -13.812 flat angles P-C4'-P energy: -8.808 tors. eta vs tors. theta energy: -8.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 105 Temperature: 1.100000 Total energy: -169.216402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.216402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.216402 (E_RNA) where: Base-Base interactions energy: -113.077 where: short stacking energy: -53.917 Base-Backbone interact. energy: -0.014 local terms energy: -56.125753 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -10.346 flat angles C4'-P-C4' energy: -14.228 flat angles P-C4'-P energy: -4.371 tors. eta vs tors. theta energy: -14.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 105 Temperature: 1.150000 Total energy: -167.639947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.639947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.639947 (E_RNA) where: Base-Base interactions energy: -105.949 where: short stacking energy: -54.837 Base-Backbone interact. energy: -1.516 local terms energy: -60.174415 where: bonds (distance) C4'-P energy: -11.340 bonds (distance) P-C4' energy: -10.786 flat angles C4'-P-C4' energy: -13.019 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -17.843 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: 7 ===================================== Write number: 105 Temperature: 1.200000 Total energy: -84.746392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.746392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.746392 (E_RNA) where: Base-Base interactions energy: -29.355 where: short stacking energy: -27.520 Base-Backbone interact. energy: -0.107 local terms energy: -55.283932 where: bonds (distance) C4'-P energy: -14.701 bonds (distance) P-C4' energy: -14.601 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -6.796 tors. eta vs tors. theta energy: -5.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 105 Temperature: 1.250000 Total energy: -84.845007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.845007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.845007 (E_RNA) where: Base-Base interactions energy: -29.806 where: short stacking energy: -27.517 Base-Backbone interact. energy: -0.093 local terms energy: -54.945526 where: bonds (distance) C4'-P energy: -13.680 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -11.634 flat angles P-C4'-P energy: -11.754 tors. eta vs tors. theta energy: -5.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 105 Temperature: 1.300000 Total energy: -152.603921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.603921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.603921 (E_RNA) where: Base-Base interactions energy: -99.428 where: short stacking energy: -45.939 Base-Backbone interact. energy: 1.851 local terms energy: -55.026885 where: bonds (distance) C4'-P energy: -14.255 bonds (distance) P-C4' energy: -10.896 flat angles C4'-P-C4' energy: -9.970 flat angles P-C4'-P energy: -9.449 tors. eta vs tors. theta energy: -10.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 105 Temperature: 1.350000 Total energy: -75.673166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.673166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.673166 (E_RNA) where: Base-Base interactions energy: -31.376 where: short stacking energy: -26.342 Base-Backbone interact. energy: -0.278 local terms energy: -44.019592 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -7.374 flat angles P-C4'-P energy: -5.566 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: 1, replica: 9 ===================================== Write number: 106 Temperature: 0.900000 Total energy: -213.078406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.078406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.078406 (E_RNA) where: Base-Base interactions energy: -136.278 where: short stacking energy: -71.298 Base-Backbone interact. energy: -0.003 local terms energy: -76.796577 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -16.178 flat angles P-C4'-P energy: -11.100 tors. eta vs tors. theta energy: -22.469 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 106 Temperature: 0.950000 Total energy: -189.880120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.880120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.880120 (E_RNA) where: Base-Base interactions energy: -123.215 where: short stacking energy: -61.125 Base-Backbone interact. energy: -0.750 local terms energy: -65.915467 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -13.658 flat angles P-C4'-P energy: -6.844 tors. eta vs tors. theta energy: -17.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 106 Temperature: 1.000000 Total energy: -180.128876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.128876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.128876 (E_RNA) where: Base-Base interactions energy: -124.189 where: short stacking energy: -46.926 Base-Backbone interact. energy: 2.688 local terms energy: -58.628668 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -15.043 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -7.646 tors. eta vs tors. theta energy: -9.987 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: 2 ===================================== Write number: 106 Temperature: 1.050000 Total energy: -175.678978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.678978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.678978 (E_RNA) where: Base-Base interactions energy: -118.924 where: short stacking energy: -55.798 Base-Backbone interact. energy: -0.172 local terms energy: -56.583111 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -10.132 flat angles C4'-P-C4' energy: -13.310 flat angles P-C4'-P energy: -5.492 tors. eta vs tors. theta energy: -14.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 106 Temperature: 1.100000 Total energy: -171.557418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.557418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.557418 (E_RNA) where: Base-Base interactions energy: -110.124 where: short stacking energy: -47.221 Base-Backbone interact. energy: -0.074 local terms energy: -61.359230 where: bonds (distance) C4'-P energy: -11.245 bonds (distance) P-C4' energy: -13.148 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -9.484 tors. eta vs tors. theta energy: -12.859 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 106 Temperature: 1.150000 Total energy: -177.766913 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.766913 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.766913 (E_RNA) where: Base-Base interactions energy: -115.476 where: short stacking energy: -55.396 Base-Backbone interact. energy: -0.019 local terms energy: -62.271550 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -10.629 flat angles C4'-P-C4' energy: -13.591 flat angles P-C4'-P energy: -10.443 tors. eta vs tors. theta energy: -15.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 106 Temperature: 1.200000 Total energy: -85.844612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.844612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.844612 (E_RNA) where: Base-Base interactions energy: -41.274 where: short stacking energy: -34.275 Base-Backbone interact. energy: -0.148 local terms energy: -44.421926 where: bonds (distance) C4'-P energy: -11.641 bonds (distance) P-C4' energy: -9.650 flat angles C4'-P-C4' energy: -12.711 flat angles P-C4'-P energy: -7.622 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: 8, replica: 7 ===================================== Write number: 106 Temperature: 1.250000 Total energy: -84.246966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.246966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.246966 (E_RNA) where: Base-Base interactions energy: -44.050 where: short stacking energy: -34.561 Base-Backbone interact. energy: 0.017 local terms energy: -40.213840 where: bonds (distance) C4'-P energy: -12.430 bonds (distance) P-C4' energy: -9.911 flat angles C4'-P-C4' energy: -7.704 flat angles P-C4'-P energy: -1.220 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: 9, replica: 4 ===================================== Write number: 106 Temperature: 1.300000 Total energy: -155.255981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.255981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.255981 (E_RNA) where: Base-Base interactions energy: -102.380 where: short stacking energy: -40.155 Base-Backbone interact. energy: -0.009 local terms energy: -52.867910 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -10.303 flat angles C4'-P-C4' energy: -8.282 flat angles P-C4'-P energy: -8.815 tors. eta vs tors. theta energy: -11.280 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 106 Temperature: 1.350000 Total energy: -70.091397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.091397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.091397 (E_RNA) where: Base-Base interactions energy: -26.412 where: short stacking energy: -25.389 Base-Backbone interact. energy: -0.091 local terms energy: -43.588172 where: bonds (distance) C4'-P energy: -11.415 bonds (distance) P-C4' energy: -14.063 flat angles C4'-P-C4' energy: -7.911 flat angles P-C4'-P energy: -9.404 tors. eta vs tors. theta energy: -0.796 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: 9 ===================================== Write number: 107 Temperature: 0.900000 Total energy: -205.449021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.449021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.449021 (E_RNA) where: Base-Base interactions energy: -133.944 where: short stacking energy: -64.397 Base-Backbone interact. energy: -0.001 local terms energy: -71.503782 where: bonds (distance) C4'-P energy: -16.097 bonds (distance) P-C4' energy: -14.876 flat angles C4'-P-C4' energy: -11.229 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -20.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 107 Temperature: 0.950000 Total energy: -190.613841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.613841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.613841 (E_RNA) where: Base-Base interactions energy: -124.991 where: short stacking energy: -52.184 Base-Backbone interact. energy: -0.009 local terms energy: -65.613860 where: bonds (distance) C4'-P energy: -16.461 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -9.942 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -15.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 107 Temperature: 1.000000 Total energy: -183.489493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.489493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.489493 (E_RNA) where: Base-Base interactions energy: -117.872 where: short stacking energy: -56.595 Base-Backbone interact. energy: -0.012 local terms energy: -65.605985 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -12.714 flat angles C4'-P-C4' energy: -14.827 flat angles P-C4'-P energy: -11.865 tors. eta vs tors. theta energy: -12.243 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: 4, replica: 6 ===================================== Write number: 107 Temperature: 1.050000 Total energy: -192.872650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.872650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.872650 (E_RNA) where: Base-Base interactions energy: -123.494 where: short stacking energy: -51.662 Base-Backbone interact. energy: -0.012 local terms energy: -69.366334 where: bonds (distance) C4'-P energy: -14.697 bonds (distance) P-C4' energy: -12.556 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -8.755 tors. eta vs tors. theta energy: -19.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 107 Temperature: 1.100000 Total energy: -170.757035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.757035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.757035 (E_RNA) where: Base-Base interactions energy: -107.746 where: short stacking energy: -41.775 Base-Backbone interact. energy: -0.083 local terms energy: -62.927884 where: bonds (distance) C4'-P energy: -13.475 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -12.559 flat angles P-C4'-P energy: -9.932 tors. eta vs tors. theta energy: -13.757 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: 10 ===================================== Write number: 107 Temperature: 1.150000 Total energy: -171.723882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.723882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.723882 (E_RNA) where: Base-Base interactions energy: -109.414 where: short stacking energy: -53.412 Base-Backbone interact. energy: -0.599 local terms energy: -61.711594 where: bonds (distance) C4'-P energy: -12.306 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -8.172 tors. eta vs tors. theta energy: -14.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 107 Temperature: 1.200000 Total energy: -85.215457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.215457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.215457 (E_RNA) where: Base-Base interactions energy: -36.144 where: short stacking energy: -36.144 Base-Backbone interact. energy: -0.163 local terms energy: -48.908504 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -10.439 flat angles C4'-P-C4' energy: -15.395 flat angles P-C4'-P energy: -9.143 tors. eta vs tors. theta energy: -1.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 107 Temperature: 1.250000 Total energy: -163.121985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.121985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.121985 (E_RNA) where: Base-Base interactions energy: -103.968 where: short stacking energy: -45.888 Base-Backbone interact. energy: -0.464 local terms energy: -58.689839 where: bonds (distance) C4'-P energy: -10.693 bonds (distance) P-C4' energy: -10.460 flat angles C4'-P-C4' energy: -15.924 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -12.956 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: 107 Temperature: 1.300000 Total energy: -86.508635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.508635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.508635 (E_RNA) where: Base-Base interactions energy: -38.755 where: short stacking energy: -31.238 Base-Backbone interact. energy: -0.086 local terms energy: -47.667621 where: bonds (distance) C4'-P energy: -15.769 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -9.677 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -2.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 107 Temperature: 1.350000 Total energy: -78.572296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.572296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.572296 (E_RNA) where: Base-Base interactions energy: -28.409 where: short stacking energy: -26.310 Base-Backbone interact. energy: -0.149 local terms energy: -50.014151 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -15.221 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -7.513 tors. eta vs tors. theta energy: -0.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 108 Temperature: 0.900000 Total energy: -192.591748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.591748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.591748 (E_RNA) where: Base-Base interactions energy: -122.670 where: short stacking energy: -56.447 Base-Backbone interact. energy: -0.005 local terms energy: -69.916994 where: bonds (distance) C4'-P energy: -14.880 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -14.620 flat angles P-C4'-P energy: -12.608 tors. eta vs tors. theta energy: -14.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 108 Temperature: 0.950000 Total energy: -208.357780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.357780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.357780 (E_RNA) where: Base-Base interactions energy: -139.375 where: short stacking energy: -61.594 Base-Backbone interact. energy: -0.012 local terms energy: -68.970603 where: bonds (distance) C4'-P energy: -11.688 bonds (distance) P-C4' energy: -14.549 flat angles C4'-P-C4' energy: -16.136 flat angles P-C4'-P energy: -10.140 tors. eta vs tors. theta energy: -16.457 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: 6 ===================================== Write number: 108 Temperature: 1.000000 Total energy: -181.468846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.468846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.468846 (E_RNA) where: Base-Base interactions energy: -112.154 where: short stacking energy: -55.890 Base-Backbone interact. energy: -0.042 local terms energy: -69.272864 where: bonds (distance) C4'-P energy: -15.367 bonds (distance) P-C4' energy: -11.754 flat angles C4'-P-C4' energy: -14.625 flat angles P-C4'-P energy: -10.259 tors. eta vs tors. theta energy: -17.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 108 Temperature: 1.050000 Total energy: -181.644661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.644661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.644661 (E_RNA) where: Base-Base interactions energy: -123.809 where: short stacking energy: -63.731 Base-Backbone interact. energy: -0.024 local terms energy: -57.811228 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -12.083 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: -13.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 108 Temperature: 1.100000 Total energy: -175.188217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.188217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.188217 (E_RNA) where: Base-Base interactions energy: -115.370 where: short stacking energy: -49.023 Base-Backbone interact. energy: -0.270 local terms energy: -59.547964 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -10.967 flat angles P-C4'-P energy: -7.317 tors. eta vs tors. theta energy: -13.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 108 Temperature: 1.150000 Total energy: -167.560252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.560252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.560252 (E_RNA) where: Base-Base interactions energy: -109.959 where: short stacking energy: -47.336 Base-Backbone interact. energy: -0.022 local terms energy: -57.579290 where: bonds (distance) C4'-P energy: -9.977 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -11.293 flat angles P-C4'-P energy: -6.116 tors. eta vs tors. theta energy: -13.337 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: 4 ===================================== Write number: 108 Temperature: 1.200000 Total energy: -182.652908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.652908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.652908 (E_RNA) where: Base-Base interactions energy: -126.574 where: short stacking energy: -69.656 Base-Backbone interact. energy: -0.034 local terms energy: -56.045311 where: bonds (distance) C4'-P energy: -8.815 bonds (distance) P-C4' energy: -12.276 flat angles C4'-P-C4' energy: -12.491 flat angles P-C4'-P energy: -6.238 tors. eta vs tors. theta energy: -16.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 108 Temperature: 1.250000 Total energy: -78.407912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.407912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.407912 (E_RNA) where: Base-Base interactions energy: -27.153 where: short stacking energy: -27.153 Base-Backbone interact. energy: -0.315 local terms energy: -50.940123 where: bonds (distance) C4'-P energy: -12.392 bonds (distance) P-C4' energy: -16.855 flat angles C4'-P-C4' energy: -12.790 flat angles P-C4'-P energy: -5.388 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: 9, replica: 7 ===================================== Write number: 108 Temperature: 1.300000 Total energy: -79.992355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.992355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.992355 (E_RNA) where: Base-Base interactions energy: -31.160 where: short stacking energy: -29.738 Base-Backbone interact. energy: -0.089 local terms energy: -48.743029 where: bonds (distance) C4'-P energy: -13.465 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -6.779 flat angles P-C4'-P energy: -7.369 tors. eta vs tors. theta energy: -9.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 108 Temperature: 1.350000 Total energy: -95.720847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.720847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.720847 (E_RNA) where: Base-Base interactions energy: -52.871 where: short stacking energy: -32.482 Base-Backbone interact. energy: -0.189 local terms energy: -42.660813 where: bonds (distance) C4'-P energy: -8.463 bonds (distance) P-C4' energy: -9.973 flat angles C4'-P-C4' energy: -8.890 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -6.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 109 Temperature: 0.900000 Total energy: -190.800503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.800503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.800503 (E_RNA) where: Base-Base interactions energy: -119.403 where: short stacking energy: -54.252 Base-Backbone interact. energy: -0.189 local terms energy: -71.208550 where: bonds (distance) C4'-P energy: -16.345 bonds (distance) P-C4' energy: -16.883 flat angles C4'-P-C4' energy: -10.513 flat angles P-C4'-P energy: -11.726 tors. eta vs tors. theta energy: -15.742 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: 9 ===================================== Write number: 109 Temperature: 0.950000 Total energy: -209.199867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.199867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.199867 (E_RNA) where: Base-Base interactions energy: -135.610 where: short stacking energy: -68.260 Base-Backbone interact. energy: -0.755 local terms energy: -72.835574 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -15.438 flat angles C4'-P-C4' energy: -14.643 flat angles P-C4'-P energy: -11.291 tors. eta vs tors. theta energy: -18.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 109 Temperature: 1.000000 Total energy: -178.681039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.681039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.681039 (E_RNA) where: Base-Base interactions energy: -113.395 where: short stacking energy: -56.318 Base-Backbone interact. energy: -1.198 local terms energy: -64.087335 where: bonds (distance) C4'-P energy: -11.870 bonds (distance) P-C4' energy: -11.837 flat angles C4'-P-C4' energy: -12.281 flat angles P-C4'-P energy: -10.386 tors. eta vs tors. theta energy: -17.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 109 Temperature: 1.050000 Total energy: -186.648505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.648505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.648505 (E_RNA) where: Base-Base interactions energy: -123.551 where: short stacking energy: -58.472 Base-Backbone interact. energy: -0.532 local terms energy: -62.565327 where: bonds (distance) C4'-P energy: -12.279 bonds (distance) P-C4' energy: -10.790 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -8.498 tors. eta vs tors. theta energy: -17.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 109 Temperature: 1.100000 Total energy: -179.572379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.572379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.572379 (E_RNA) where: Base-Base interactions energy: -112.787 where: short stacking energy: -53.097 Base-Backbone interact. energy: -0.046 local terms energy: -66.738875 where: bonds (distance) C4'-P energy: -12.952 bonds (distance) P-C4' energy: -14.408 flat angles C4'-P-C4' energy: -14.169 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -16.753 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: 4 ===================================== Write number: 109 Temperature: 1.150000 Total energy: -179.131740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.131740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.131740 (E_RNA) where: Base-Base interactions energy: -118.747 where: short stacking energy: -59.531 Base-Backbone interact. energy: 0.173 local terms energy: -60.557367 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -13.508 flat angles P-C4'-P energy: -5.249 tors. eta vs tors. theta energy: -14.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 109 Temperature: 1.200000 Total energy: -164.551020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.551020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.551020 (E_RNA) where: Base-Base interactions energy: -103.609 where: short stacking energy: -48.989 Base-Backbone interact. energy: -0.100 local terms energy: -60.841611 where: bonds (distance) C4'-P energy: -12.108 bonds (distance) P-C4' energy: -12.365 flat angles C4'-P-C4' energy: -14.234 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -14.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 109 Temperature: 1.250000 Total energy: -97.887374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.887374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.887374 (E_RNA) where: Base-Base interactions energy: -45.661 where: short stacking energy: -33.589 Base-Backbone interact. energy: -0.057 local terms energy: -52.169225 where: bonds (distance) C4'-P energy: -12.387 bonds (distance) P-C4' energy: -10.312 flat angles C4'-P-C4' energy: -11.487 flat angles P-C4'-P energy: -7.568 tors. eta vs tors. theta energy: -10.415 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 109 Temperature: 1.300000 Total energy: -70.782993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.782993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.782993 (E_RNA) where: Base-Base interactions energy: -25.413 where: short stacking energy: -21.343 Base-Backbone interact. energy: 0.505 local terms energy: -45.874654 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -11.006 flat angles C4'-P-C4' energy: -15.447 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: 1.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 109 Temperature: 1.350000 Total energy: -72.937288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.937288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.937288 (E_RNA) where: Base-Base interactions energy: -34.722 where: short stacking energy: -31.408 Base-Backbone interact. energy: -0.039 local terms energy: -38.177106 where: bonds (distance) C4'-P energy: -8.868 bonds (distance) P-C4' energy: -11.044 flat angles C4'-P-C4' energy: -11.291 flat angles P-C4'-P energy: -8.005 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: 1, replica: 9 ===================================== Write number: 110 Temperature: 0.900000 Total energy: -207.060538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.060538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.060538 (E_RNA) where: Base-Base interactions energy: -136.998 where: short stacking energy: -61.072 Base-Backbone interact. energy: -0.413 local terms energy: -69.649629 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -10.922 tors. eta vs tors. theta energy: -18.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 110 Temperature: 0.950000 Total energy: -192.867582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.867582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.867582 (E_RNA) where: Base-Base interactions energy: -127.027 where: short stacking energy: -55.072 Base-Backbone interact. energy: -1.439 local terms energy: -64.401557 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -14.355 flat angles C4'-P-C4' energy: -13.893 flat angles P-C4'-P energy: -6.907 tors. eta vs tors. theta energy: -16.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 110 Temperature: 1.000000 Total energy: -181.565585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.565585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.565585 (E_RNA) where: Base-Base interactions energy: -124.102 where: short stacking energy: -52.147 Base-Backbone interact. energy: -0.451 local terms energy: -57.012489 where: bonds (distance) C4'-P energy: -11.320 bonds (distance) P-C4' energy: -12.632 flat angles C4'-P-C4' energy: -12.432 flat angles P-C4'-P energy: -6.117 tors. eta vs tors. theta energy: -14.511 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: 6 ===================================== Write number: 110 Temperature: 1.050000 Total energy: -186.291689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.291689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.291689 (E_RNA) where: Base-Base interactions energy: -116.950 where: short stacking energy: -56.448 Base-Backbone interact. energy: -0.146 local terms energy: -69.195690 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -14.091 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: -16.252 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: 110 Temperature: 1.100000 Total energy: -192.275127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.275127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.275127 (E_RNA) where: Base-Base interactions energy: -132.346 where: short stacking energy: -60.924 Base-Backbone interact. energy: -0.064 local terms energy: -59.864428 where: bonds (distance) C4'-P energy: -13.413 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -15.211 flat angles P-C4'-P energy: -8.652 tors. eta vs tors. theta energy: -11.151 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: 10 ===================================== Write number: 110 Temperature: 1.150000 Total energy: -169.853021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.853021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.853021 (E_RNA) where: Base-Base interactions energy: -106.543 where: short stacking energy: -52.396 Base-Backbone interact. energy: -0.318 local terms energy: -62.991634 where: bonds (distance) C4'-P energy: -12.826 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -8.470 tors. eta vs tors. theta energy: -14.132 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 110 Temperature: 1.200000 Total energy: -177.603816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.603816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.603816 (E_RNA) where: Base-Base interactions energy: -118.271 where: short stacking energy: -48.772 Base-Backbone interact. energy: -0.004 local terms energy: -59.328829 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -11.813 flat angles C4'-P-C4' energy: -14.224 flat angles P-C4'-P energy: -5.726 tors. eta vs tors. theta energy: -16.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 110 Temperature: 1.250000 Total energy: -77.479730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.479730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.479730 (E_RNA) where: Base-Base interactions energy: -30.083 where: short stacking energy: -25.717 Base-Backbone interact. energy: 0.277 local terms energy: -47.673972 where: bonds (distance) C4'-P energy: -11.005 bonds (distance) P-C4' energy: -11.647 flat angles C4'-P-C4' energy: -15.704 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -0.311 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: 8 ===================================== Write number: 110 Temperature: 1.300000 Total energy: -67.668425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.668425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.668425 (E_RNA) where: Base-Base interactions energy: -22.552 where: short stacking energy: -21.013 Base-Backbone interact. energy: -0.095 local terms energy: -45.021659 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -12.206 flat angles C4'-P-C4' energy: -9.450 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -0.803 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: 10, replica: 7 ===================================== Write number: 110 Temperature: 1.350000 Total energy: -70.995408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.995408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.995408 (E_RNA) where: Base-Base interactions energy: -23.251 where: short stacking energy: -22.534 Base-Backbone interact. energy: -0.119 local terms energy: -47.625266 where: bonds (distance) C4'-P energy: -9.979 bonds (distance) P-C4' energy: -8.709 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -12.378 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: 1, replica: 9 ===================================== Write number: 111 Temperature: 0.900000 Total energy: -208.829829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.829829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.829829 (E_RNA) where: Base-Base interactions energy: -134.305 where: short stacking energy: -66.722 Base-Backbone interact. energy: -0.029 local terms energy: -74.495779 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -17.016 flat angles P-C4'-P energy: -10.763 tors. eta vs tors. theta energy: -18.952 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: 1 ===================================== Write number: 111 Temperature: 0.950000 Total energy: -191.564936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.564936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.564936 (E_RNA) where: Base-Base interactions energy: -128.332 where: short stacking energy: -58.964 Base-Backbone interact. energy: -0.155 local terms energy: -63.078051 where: bonds (distance) C4'-P energy: -13.405 bonds (distance) P-C4' energy: -12.770 flat angles C4'-P-C4' energy: -10.978 flat angles P-C4'-P energy: -11.190 tors. eta vs tors. theta energy: -14.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 111 Temperature: 1.000000 Total energy: -194.396926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.396926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.396926 (E_RNA) where: Base-Base interactions energy: -126.130 where: short stacking energy: -58.346 Base-Backbone interact. energy: -0.062 local terms energy: -68.204485 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -15.984 flat angles P-C4'-P energy: -8.452 tors. eta vs tors. theta energy: -18.269 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: 4 ===================================== Write number: 111 Temperature: 1.050000 Total energy: -198.896818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.896818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.896818 (E_RNA) where: Base-Base interactions energy: -132.838 where: short stacking energy: -59.773 Base-Backbone interact. energy: -0.056 local terms energy: -66.003203 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -13.241 flat angles P-C4'-P energy: -11.298 tors. eta vs tors. theta energy: -15.804 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: 6 ===================================== Write number: 111 Temperature: 1.100000 Total energy: -160.355172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.355172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.355172 (E_RNA) where: Base-Base interactions energy: -102.479 where: short stacking energy: -49.538 Base-Backbone interact. energy: 0.003 local terms energy: -57.879711 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -11.222 flat angles C4'-P-C4' energy: -14.475 flat angles P-C4'-P energy: -9.805 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: 6, replica: 2 ===================================== Write number: 111 Temperature: 1.150000 Total energy: -173.095705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.095705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.095705 (E_RNA) where: Base-Base interactions energy: -115.815 where: short stacking energy: -51.263 Base-Backbone interact. energy: -0.112 local terms energy: -57.168840 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -9.971 flat angles P-C4'-P energy: -8.182 tors. eta vs tors. theta energy: -16.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 111 Temperature: 1.200000 Total energy: -154.778207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.778207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.778207 (E_RNA) where: Base-Base interactions energy: -103.904 where: short stacking energy: -48.354 Base-Backbone interact. energy: -0.001 local terms energy: -50.874008 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -7.261 tors. eta vs tors. theta energy: -9.595 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: 8 ===================================== Write number: 111 Temperature: 1.250000 Total energy: -82.338646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.338646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.338646 (E_RNA) where: Base-Base interactions energy: -31.279 where: short stacking energy: -31.279 Base-Backbone interact. energy: 0.570 local terms energy: -51.629580 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -13.137 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 111 Temperature: 1.300000 Total energy: -77.485344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.485344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.485344 (E_RNA) where: Base-Base interactions energy: -43.723 where: short stacking energy: -13.892 Base-Backbone interact. energy: -0.292 local terms energy: -33.470296 where: bonds (distance) C4'-P energy: -10.585 bonds (distance) P-C4' energy: -11.212 flat angles C4'-P-C4' energy: -6.246 flat angles P-C4'-P energy: -6.222 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: 10, replica: 7 ===================================== Write number: 111 Temperature: 1.350000 Total energy: -75.102728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.102728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.102728 (E_RNA) where: Base-Base interactions energy: -28.758 where: short stacking energy: -28.748 Base-Backbone interact. energy: -0.022 local terms energy: -46.322905 where: bonds (distance) C4'-P energy: -13.214 bonds (distance) P-C4' energy: -15.208 flat angles C4'-P-C4' energy: -10.585 flat angles P-C4'-P energy: -4.049 tors. eta vs tors. theta energy: -3.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 112 Temperature: 0.900000 Total energy: -201.191460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.191460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.191460 (E_RNA) where: Base-Base interactions energy: -130.362 where: short stacking energy: -54.549 Base-Backbone interact. energy: 0.702 local terms energy: -71.531446 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -15.929 flat angles P-C4'-P energy: -8.905 tors. eta vs tors. theta energy: -17.030 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: 9 ===================================== Write number: 112 Temperature: 0.950000 Total energy: -206.411251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.411251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.411251 (E_RNA) where: Base-Base interactions energy: -131.101 where: short stacking energy: -56.777 Base-Backbone interact. energy: -0.001 local terms energy: -75.309393 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -15.351 flat angles C4'-P-C4' energy: -15.297 flat angles P-C4'-P energy: -11.471 tors. eta vs tors. theta energy: -18.964 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: 3, replica: 4 ===================================== Write number: 112 Temperature: 1.000000 Total energy: -199.367649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.367649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.367649 (E_RNA) where: Base-Base interactions energy: -133.351 where: short stacking energy: -67.707 Base-Backbone interact. energy: -0.043 local terms energy: -65.973915 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -11.242 flat angles C4'-P-C4' energy: -10.335 flat angles P-C4'-P energy: -11.644 tors. eta vs tors. theta energy: -19.897 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: 4, replica: 3 ===================================== Write number: 112 Temperature: 1.050000 Total energy: -178.358412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.358412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.358412 (E_RNA) where: Base-Base interactions energy: -117.905 where: short stacking energy: -53.583 Base-Backbone interact. energy: -1.078 local terms energy: -59.376012 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -12.693 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -8.522 tors. eta vs tors. theta energy: -11.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 112 Temperature: 1.100000 Total energy: -163.934930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.934930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.934930 (E_RNA) where: Base-Base interactions energy: -111.679 where: short stacking energy: -57.107 Base-Backbone interact. energy: -0.728 local terms energy: -51.527473 where: bonds (distance) C4'-P energy: -9.546 bonds (distance) P-C4' energy: -7.510 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -11.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 112 Temperature: 1.150000 Total energy: -169.833249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.833249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.833249 (E_RNA) where: Base-Base interactions energy: -108.164 where: short stacking energy: -49.938 Base-Backbone interact. energy: -0.068 local terms energy: -61.601465 where: bonds (distance) C4'-P energy: -11.658 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -6.650 tors. eta vs tors. theta energy: -12.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 112 Temperature: 1.200000 Total energy: -166.106844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.106844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.106844 (E_RNA) where: Base-Base interactions energy: -104.368 where: short stacking energy: -43.156 Base-Backbone interact. energy: -0.455 local terms energy: -61.283234 where: bonds (distance) C4'-P energy: -13.518 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -8.306 tors. eta vs tors. theta energy: -13.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 112 Temperature: 1.250000 Total energy: -91.497221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.497221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.497221 (E_RNA) where: Base-Base interactions energy: -44.952 where: short stacking energy: -27.446 Base-Backbone interact. energy: -0.190 local terms energy: -46.355073 where: bonds (distance) C4'-P energy: -15.911 bonds (distance) P-C4' energy: -10.672 flat angles C4'-P-C4' energy: -6.276 flat angles P-C4'-P energy: -12.138 tors. eta vs tors. theta energy: -1.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 112 Temperature: 1.300000 Total energy: -78.616300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.616300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.616300 (E_RNA) where: Base-Base interactions energy: -37.107 where: short stacking energy: -32.210 Base-Backbone interact. energy: 1.451 local terms energy: -42.960094 where: bonds (distance) C4'-P energy: -9.101 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -7.602 flat angles P-C4'-P energy: -5.209 tors. eta vs tors. theta energy: -7.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 112 Temperature: 1.350000 Total energy: -64.392715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.392715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.392715 (E_RNA) where: Base-Base interactions energy: -27.653 where: short stacking energy: -18.097 Base-Backbone interact. energy: -0.330 local terms energy: -36.409908 where: bonds (distance) C4'-P energy: -8.073 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -9.254 flat angles P-C4'-P energy: -5.503 tors. eta vs tors. theta energy: 0.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 113 Temperature: 0.900000 Total energy: -194.623684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.623684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.623684 (E_RNA) where: Base-Base interactions energy: -126.633 where: short stacking energy: -59.594 Base-Backbone interact. energy: -0.501 local terms energy: -67.489355 where: bonds (distance) C4'-P energy: -13.873 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -14.000 flat angles P-C4'-P energy: -8.195 tors. eta vs tors. theta energy: -15.930 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: 2, replica: 9 ===================================== Write number: 113 Temperature: 0.950000 Total energy: -209.712713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.712713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.712713 (E_RNA) where: Base-Base interactions energy: -137.355 where: short stacking energy: -62.069 Base-Backbone interact. energy: -0.001 local terms energy: -72.357319 where: bonds (distance) C4'-P energy: -11.613 bonds (distance) P-C4' energy: -16.414 flat angles C4'-P-C4' energy: -15.829 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: -19.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 113 Temperature: 1.000000 Total energy: -203.290928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.290928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.290928 (E_RNA) where: Base-Base interactions energy: -139.456 where: short stacking energy: -67.960 Base-Backbone interact. energy: -0.004 local terms energy: -63.831025 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -16.140 flat angles C4'-P-C4' energy: -11.645 flat angles P-C4'-P energy: -5.071 tors. eta vs tors. theta energy: -18.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 113 Temperature: 1.050000 Total energy: -176.114487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.114487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.114487 (E_RNA) where: Base-Base interactions energy: -112.668 where: short stacking energy: -56.822 Base-Backbone interact. energy: -0.002 local terms energy: -63.444544 where: bonds (distance) C4'-P energy: -12.929 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -10.444 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -16.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 113 Temperature: 1.100000 Total energy: -174.843758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.843758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.843758 (E_RNA) where: Base-Base interactions energy: -104.927 where: short stacking energy: -49.338 Base-Backbone interact. energy: -0.002 local terms energy: -69.915259 where: bonds (distance) C4'-P energy: -16.005 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -7.700 tors. eta vs tors. theta energy: -16.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 113 Temperature: 1.150000 Total energy: -164.865689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.865689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.865689 (E_RNA) where: Base-Base interactions energy: -105.732 where: short stacking energy: -48.806 Base-Backbone interact. energy: 1.857 local terms energy: -60.990160 where: bonds (distance) C4'-P energy: -9.589 bonds (distance) P-C4' energy: -11.312 flat angles C4'-P-C4' energy: -14.855 flat angles P-C4'-P energy: -12.377 tors. eta vs tors. theta energy: -12.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 113 Temperature: 1.200000 Total energy: -160.707516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.707516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.707516 (E_RNA) where: Base-Base interactions energy: -108.634 where: short stacking energy: -60.776 Base-Backbone interact. energy: -0.007 local terms energy: -52.066575 where: bonds (distance) C4'-P energy: -11.431 bonds (distance) P-C4' energy: -12.264 flat angles C4'-P-C4' energy: -12.656 flat angles P-C4'-P energy: -2.762 tors. eta vs tors. theta energy: -12.954 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: 8, replica: 8 ===================================== Write number: 113 Temperature: 1.250000 Total energy: -76.948485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.948485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.948485 (E_RNA) where: Base-Base interactions energy: -28.590 where: short stacking energy: -28.590 Base-Backbone interact. energy: -0.113 local terms energy: -48.245444 where: bonds (distance) C4'-P energy: -13.633 bonds (distance) P-C4' energy: -11.026 flat angles C4'-P-C4' energy: -8.004 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -6.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 113 Temperature: 1.300000 Total energy: -80.090324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.090324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.090324 (E_RNA) where: Base-Base interactions energy: -26.421 where: short stacking energy: -26.421 Base-Backbone interact. energy: -0.112 local terms energy: -53.557298 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -14.560 flat angles C4'-P-C4' energy: -10.843 flat angles P-C4'-P energy: -10.012 tors. eta vs tors. theta energy: -3.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 113 Temperature: 1.350000 Total energy: -85.828695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.828695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.828695 (E_RNA) where: Base-Base interactions energy: -29.950 where: short stacking energy: -25.624 Base-Backbone interact. energy: -0.053 local terms energy: -55.825928 where: bonds (distance) C4'-P energy: -14.776 bonds (distance) P-C4' energy: -13.749 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -8.665 tors. eta vs tors. theta energy: -5.333 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 114 Temperature: 0.900000 Total energy: -207.375179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.375179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.375179 (E_RNA) where: Base-Base interactions energy: -136.705 where: short stacking energy: -61.040 Base-Backbone interact. energy: -0.043 local terms energy: -70.627082 where: bonds (distance) C4'-P energy: -14.698 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -13.804 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -17.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 114 Temperature: 0.950000 Total energy: -192.529143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.529143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.529143 (E_RNA) where: Base-Base interactions energy: -129.926 where: short stacking energy: -55.493 Base-Backbone interact. energy: 0.791 local terms energy: -63.393509 where: bonds (distance) C4'-P energy: -14.727 bonds (distance) P-C4' energy: -10.453 flat angles C4'-P-C4' energy: -14.254 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -14.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 114 Temperature: 1.000000 Total energy: -175.805549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.805549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.805549 (E_RNA) where: Base-Base interactions energy: -123.047 where: short stacking energy: -53.092 Base-Backbone interact. energy: -0.003 local terms energy: -52.755270 where: bonds (distance) C4'-P energy: -10.499 bonds (distance) P-C4' energy: -10.056 flat angles C4'-P-C4' energy: -13.937 flat angles P-C4'-P energy: -9.879 tors. eta vs tors. theta energy: -8.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 114 Temperature: 1.050000 Total energy: -195.580345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.580345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.580345 (E_RNA) where: Base-Base interactions energy: -129.972 where: short stacking energy: -57.729 Base-Backbone interact. energy: -0.069 local terms energy: -65.539073 where: bonds (distance) C4'-P energy: -10.854 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -13.948 flat angles P-C4'-P energy: -10.455 tors. eta vs tors. theta energy: -14.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 114 Temperature: 1.100000 Total energy: -175.219122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.219122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.219122 (E_RNA) where: Base-Base interactions energy: -116.768 where: short stacking energy: -64.351 Base-Backbone interact. energy: -0.033 local terms energy: -58.417224 where: bonds (distance) C4'-P energy: -11.559 bonds (distance) P-C4' energy: -12.323 flat angles C4'-P-C4' energy: -12.134 flat angles P-C4'-P energy: -6.742 tors. eta vs tors. theta energy: -15.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 114 Temperature: 1.150000 Total energy: -148.395426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.395426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.395426 (E_RNA) where: Base-Base interactions energy: -97.291 where: short stacking energy: -49.042 Base-Backbone interact. energy: -0.319 local terms energy: -50.785269 where: bonds (distance) C4'-P energy: -11.643 bonds (distance) P-C4' energy: -13.338 flat angles C4'-P-C4' energy: -10.201 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -12.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 114 Temperature: 1.200000 Total energy: -161.416662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.416662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.416662 (E_RNA) where: Base-Base interactions energy: -102.986 where: short stacking energy: -45.046 Base-Backbone interact. energy: -0.001 local terms energy: -58.429746 where: bonds (distance) C4'-P energy: -13.874 bonds (distance) P-C4' energy: -12.684 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -9.395 tors. eta vs tors. theta energy: -10.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 114 Temperature: 1.250000 Total energy: -86.056486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.056486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.056486 (E_RNA) where: Base-Base interactions energy: -36.489 where: short stacking energy: -24.003 Base-Backbone interact. energy: -0.214 local terms energy: -49.353460 where: bonds (distance) C4'-P energy: -9.944 bonds (distance) P-C4' energy: -11.077 flat angles C4'-P-C4' energy: -10.309 flat angles P-C4'-P energy: -11.597 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: 7 ===================================== Write number: 114 Temperature: 1.300000 Total energy: -82.285124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.285124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.285124 (E_RNA) where: Base-Base interactions energy: -33.431 where: short stacking energy: -34.031 Base-Backbone interact. energy: -0.013 local terms energy: -48.841552 where: bonds (distance) C4'-P energy: -6.559 bonds (distance) P-C4' energy: -17.147 flat angles C4'-P-C4' energy: -14.148 flat angles P-C4'-P energy: -5.703 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: 10, replica: 5 ===================================== Write number: 114 Temperature: 1.350000 Total energy: -71.508771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.508771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.508771 (E_RNA) where: Base-Base interactions energy: -22.281 where: short stacking energy: -22.281 Base-Backbone interact. energy: -0.027 local terms energy: -49.200191 where: bonds (distance) C4'-P energy: -14.511 bonds (distance) P-C4' energy: -12.008 flat angles C4'-P-C4' energy: -10.456 flat angles P-C4'-P energy: -7.853 tors. eta vs tors. theta energy: -4.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 115 Temperature: 0.900000 Total energy: -210.410458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.410458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.410458 (E_RNA) where: Base-Base interactions energy: -140.043 where: short stacking energy: -60.003 Base-Backbone interact. energy: 1.750 local terms energy: -72.117097 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -14.571 flat angles C4'-P-C4' energy: -15.920 flat angles P-C4'-P energy: -11.286 tors. eta vs tors. theta energy: -18.818 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 115 Temperature: 0.950000 Total energy: -187.568291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.568291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.568291 (E_RNA) where: Base-Base interactions energy: -126.847 where: short stacking energy: -55.755 Base-Backbone interact. energy: -0.104 local terms energy: -60.616615 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -11.169 flat angles C4'-P-C4' energy: -11.845 flat angles P-C4'-P energy: -9.636 tors. eta vs tors. theta energy: -15.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 115 Temperature: 1.000000 Total energy: -181.155845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.155845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.155845 (E_RNA) where: Base-Base interactions energy: -110.296 where: short stacking energy: -50.372 Base-Backbone interact. energy: 0.228 local terms energy: -71.087418 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -15.504 flat angles C4'-P-C4' energy: -14.200 flat angles P-C4'-P energy: -10.578 tors. eta vs tors. theta energy: -18.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 115 Temperature: 1.050000 Total energy: -169.872542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.872542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.872542 (E_RNA) where: Base-Base interactions energy: -112.024 where: short stacking energy: -47.737 Base-Backbone interact. energy: -0.446 local terms energy: -57.402821 where: bonds (distance) C4'-P energy: -11.114 bonds (distance) P-C4' energy: -11.426 flat angles C4'-P-C4' energy: -14.228 flat angles P-C4'-P energy: -7.742 tors. eta vs tors. theta energy: -12.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 115 Temperature: 1.100000 Total energy: -192.724770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.724770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.724770 (E_RNA) where: Base-Base interactions energy: -124.641 where: short stacking energy: -61.203 Base-Backbone interact. energy: -0.014 local terms energy: -68.069550 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -15.549 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -11.488 tors. eta vs tors. theta energy: -15.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 115 Temperature: 1.150000 Total energy: -161.232273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.232273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.232273 (E_RNA) where: Base-Base interactions energy: -96.616 where: short stacking energy: -41.903 Base-Backbone interact. energy: -0.160 local terms energy: -64.456214 where: bonds (distance) C4'-P energy: -12.883 bonds (distance) P-C4' energy: -13.555 flat angles C4'-P-C4' energy: -14.208 flat angles P-C4'-P energy: -11.281 tors. eta vs tors. theta energy: -12.530 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: 10 ===================================== Write number: 115 Temperature: 1.200000 Total energy: -149.093921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.093921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.093921 (E_RNA) where: Base-Base interactions energy: -95.834 where: short stacking energy: -44.492 Base-Backbone interact. energy: -0.009 local terms energy: -53.250393 where: bonds (distance) C4'-P energy: -13.380 bonds (distance) P-C4' energy: -9.992 flat angles C4'-P-C4' energy: -9.665 flat angles P-C4'-P energy: -5.610 tors. eta vs tors. theta energy: -14.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 115 Temperature: 1.250000 Total energy: -80.474904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.474904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.474904 (E_RNA) where: Base-Base interactions energy: -28.215 where: short stacking energy: -25.002 Base-Backbone interact. energy: -0.128 local terms energy: -52.132419 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -7.182 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: 8 ===================================== Write number: 115 Temperature: 1.300000 Total energy: -72.788686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.788686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.788686 (E_RNA) where: Base-Base interactions energy: -28.439 where: short stacking energy: -28.439 Base-Backbone interact. energy: 0.649 local terms energy: -44.999077 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -10.999 flat angles P-C4'-P energy: -6.885 tors. eta vs tors. theta energy: 0.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 115 Temperature: 1.350000 Total energy: -68.470005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.470005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.470005 (E_RNA) where: Base-Base interactions energy: -27.089 where: short stacking energy: -24.449 Base-Backbone interact. energy: -0.099 local terms energy: -41.282178 where: bonds (distance) C4'-P energy: -8.869 bonds (distance) P-C4' energy: -10.837 flat angles C4'-P-C4' energy: -11.639 flat angles P-C4'-P energy: -6.907 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: 1, replica: 3 ===================================== Write number: 116 Temperature: 0.900000 Total energy: -188.833433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.833433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.833433 (E_RNA) where: Base-Base interactions energy: -122.918 where: short stacking energy: -55.605 Base-Backbone interact. energy: -0.091 local terms energy: -65.824253 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -16.564 flat angles P-C4'-P energy: -8.256 tors. eta vs tors. theta energy: -13.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 116 Temperature: 0.950000 Total energy: -193.435931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.435931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.435931 (E_RNA) where: Base-Base interactions energy: -126.016 where: short stacking energy: -59.542 Base-Backbone interact. energy: -0.027 local terms energy: -67.392299 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -15.209 flat angles P-C4'-P energy: -7.548 tors. eta vs tors. theta energy: -14.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 116 Temperature: 1.000000 Total energy: -179.725181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.725181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.725181 (E_RNA) where: Base-Base interactions energy: -115.057 where: short stacking energy: -50.357 Base-Backbone interact. energy: -0.394 local terms energy: -64.274591 where: bonds (distance) C4'-P energy: -13.779 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -11.770 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -14.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 116 Temperature: 1.050000 Total energy: -188.645985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.645985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.645985 (E_RNA) where: Base-Base interactions energy: -123.841 where: short stacking energy: -60.786 Base-Backbone interact. energy: 0.049 local terms energy: -64.854498 where: bonds (distance) C4'-P energy: -10.987 bonds (distance) P-C4' energy: -12.080 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -7.665 tors. eta vs tors. theta energy: -19.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 116 Temperature: 1.100000 Total energy: -161.679990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.679990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.679990 (E_RNA) where: Base-Base interactions energy: -105.691 where: short stacking energy: -46.370 Base-Backbone interact. energy: -0.057 local terms energy: -55.932251 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -12.770 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -9.405 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: 6, replica: 4 ===================================== Write number: 116 Temperature: 1.150000 Total energy: -185.749567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.749567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.749567 (E_RNA) where: Base-Base interactions energy: -121.137 where: short stacking energy: -58.035 Base-Backbone interact. energy: -0.008 local terms energy: -64.604046 where: bonds (distance) C4'-P energy: -11.464 bonds (distance) P-C4' energy: -11.568 flat angles C4'-P-C4' energy: -16.175 flat angles P-C4'-P energy: -10.060 tors. eta vs tors. theta energy: -15.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 116 Temperature: 1.200000 Total energy: -172.438887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.438887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.438887 (E_RNA) where: Base-Base interactions energy: -115.466 where: short stacking energy: -45.922 Base-Backbone interact. energy: -0.107 local terms energy: -56.865065 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -9.726 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -7.202 tors. eta vs tors. theta energy: -15.014 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: 116 Temperature: 1.250000 Total energy: -80.089250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.089250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.089250 (E_RNA) where: Base-Base interactions energy: -38.184 where: short stacking energy: -24.570 Base-Backbone interact. energy: -0.056 local terms energy: -41.849687 where: bonds (distance) C4'-P energy: -8.243 bonds (distance) P-C4' energy: -12.485 flat angles C4'-P-C4' energy: -12.352 flat angles P-C4'-P energy: -8.192 tors. eta vs tors. theta energy: -0.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 116 Temperature: 1.300000 Total energy: -86.840627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.840627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.840627 (E_RNA) where: Base-Base interactions energy: -28.434 where: short stacking energy: -28.434 Base-Backbone interact. energy: -0.006 local terms energy: -58.400305 where: bonds (distance) C4'-P energy: -14.710 bonds (distance) P-C4' energy: -14.660 flat angles C4'-P-C4' energy: -12.347 flat angles P-C4'-P energy: -5.194 tors. eta vs tors. theta energy: -11.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 116 Temperature: 1.350000 Total energy: -76.169046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.169046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.169046 (E_RNA) where: Base-Base interactions energy: -38.946 where: short stacking energy: -33.432 Base-Backbone interact. energy: 1.303 local terms energy: -38.525368 where: bonds (distance) C4'-P energy: -9.464 bonds (distance) P-C4' energy: -6.408 flat angles C4'-P-C4' energy: -11.750 flat angles P-C4'-P energy: -8.773 tors. eta vs tors. theta energy: -2.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 117 Temperature: 0.900000 Total energy: -191.780499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.780499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.780499 (E_RNA) where: Base-Base interactions energy: -126.211 where: short stacking energy: -58.626 Base-Backbone interact. energy: -0.004 local terms energy: -65.566171 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -7.735 tors. eta vs tors. theta energy: -16.695 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: 9 ===================================== Write number: 117 Temperature: 0.950000 Total energy: -206.187659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.187659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.187659 (E_RNA) where: Base-Base interactions energy: -137.339 where: short stacking energy: -63.488 Base-Backbone interact. energy: -0.017 local terms energy: -68.831807 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -14.951 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -8.956 tors. eta vs tors. theta energy: -17.339 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: 2 ===================================== Write number: 117 Temperature: 1.000000 Total energy: -188.573514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.573514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.573514 (E_RNA) where: Base-Base interactions energy: -124.520 where: short stacking energy: -55.119 Base-Backbone interact. energy: -0.084 local terms energy: -63.969994 where: bonds (distance) C4'-P energy: -10.164 bonds (distance) P-C4' energy: -14.324 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -8.206 tors. eta vs tors. theta energy: -16.563 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: 1 ===================================== Write number: 117 Temperature: 1.050000 Total energy: -180.827651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.827651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.827651 (E_RNA) where: Base-Base interactions energy: -110.651 where: short stacking energy: -49.167 Base-Backbone interact. energy: 0.003 local terms energy: -70.180328 where: bonds (distance) C4'-P energy: -12.881 bonds (distance) P-C4' energy: -10.130 flat angles C4'-P-C4' energy: -16.644 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -19.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 117 Temperature: 1.100000 Total energy: -171.595346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.595346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.595346 (E_RNA) where: Base-Base interactions energy: -105.234 where: short stacking energy: -57.441 Base-Backbone interact. energy: -0.003 local terms energy: -66.358203 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -13.429 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -9.931 tors. eta vs tors. theta energy: -17.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 117 Temperature: 1.150000 Total energy: -156.075417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.075417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.075417 (E_RNA) where: Base-Base interactions energy: -98.111 where: short stacking energy: -43.795 Base-Backbone interact. energy: -0.101 local terms energy: -57.863881 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -15.483 flat angles P-C4'-P energy: -9.010 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: 7, replica: 4 ===================================== Write number: 117 Temperature: 1.200000 Total energy: -187.053441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.053441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.053441 (E_RNA) where: Base-Base interactions energy: -119.321 where: short stacking energy: -57.509 Base-Backbone interact. energy: -0.006 local terms energy: -67.726465 where: bonds (distance) C4'-P energy: -15.438 bonds (distance) P-C4' energy: -12.117 flat angles C4'-P-C4' energy: -14.845 flat angles P-C4'-P energy: -8.740 tors. eta vs tors. theta energy: -16.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 117 Temperature: 1.250000 Total energy: -75.084790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.084790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.084790 (E_RNA) where: Base-Base interactions energy: -33.189 where: short stacking energy: -33.109 Base-Backbone interact. energy: -0.109 local terms energy: -41.787584 where: bonds (distance) C4'-P energy: -9.013 bonds (distance) P-C4' energy: -8.495 flat angles C4'-P-C4' energy: -11.018 flat angles P-C4'-P energy: -7.967 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: 9, replica: 7 ===================================== Write number: 117 Temperature: 1.300000 Total energy: -77.956671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.956671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.956671 (E_RNA) where: Base-Base interactions energy: -29.940 where: short stacking energy: -24.906 Base-Backbone interact. energy: -0.237 local terms energy: -47.779526 where: bonds (distance) C4'-P energy: -12.490 bonds (distance) P-C4' energy: -13.939 flat angles C4'-P-C4' energy: -11.304 flat angles P-C4'-P energy: -6.218 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: 10, replica: 8 ===================================== Write number: 117 Temperature: 1.350000 Total energy: -82.128651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.128651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.128651 (E_RNA) where: Base-Base interactions energy: -33.137 where: short stacking energy: -33.137 Base-Backbone interact. energy: -0.096 local terms energy: -48.895442 where: bonds (distance) C4'-P energy: -9.365 bonds (distance) P-C4' energy: -14.006 flat angles C4'-P-C4' energy: -11.090 flat angles P-C4'-P energy: -6.439 tors. eta vs tors. theta energy: -7.995 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: 9 ===================================== Write number: 118 Temperature: 0.900000 Total energy: -211.607109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.607109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.607109 (E_RNA) where: Base-Base interactions energy: -144.902 where: short stacking energy: -57.419 Base-Backbone interact. energy: -0.019 local terms energy: -66.685899 where: bonds (distance) C4'-P energy: -12.684 bonds (distance) P-C4' energy: -11.928 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -17.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 118 Temperature: 0.950000 Total energy: -192.266181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.266181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.266181 (E_RNA) where: Base-Base interactions energy: -124.546 where: short stacking energy: -54.435 Base-Backbone interact. energy: -0.013 local terms energy: -67.707068 where: bonds (distance) C4'-P energy: -13.231 bonds (distance) P-C4' energy: -12.098 flat angles C4'-P-C4' energy: -15.575 flat angles P-C4'-P energy: -10.675 tors. eta vs tors. theta energy: -16.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 118 Temperature: 1.000000 Total energy: -194.862314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.862314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.862314 (E_RNA) where: Base-Base interactions energy: -126.759 where: short stacking energy: -54.686 Base-Backbone interact. energy: -0.001 local terms energy: -68.102539 where: bonds (distance) C4'-P energy: -10.673 bonds (distance) P-C4' energy: -13.179 flat angles C4'-P-C4' energy: -12.236 flat angles P-C4'-P energy: -12.388 tors. eta vs tors. theta energy: -19.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 118 Temperature: 1.050000 Total energy: -176.950380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.950380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.950380 (E_RNA) where: Base-Base interactions energy: -109.097 where: short stacking energy: -51.367 Base-Backbone interact. energy: -0.239 local terms energy: -67.615013 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -10.323 flat angles P-C4'-P energy: -11.826 tors. eta vs tors. theta energy: -16.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 118 Temperature: 1.100000 Total energy: -182.423267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.423267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.423267 (E_RNA) where: Base-Base interactions energy: -115.015 where: short stacking energy: -49.833 Base-Backbone interact. energy: -0.013 local terms energy: -67.395471 where: bonds (distance) C4'-P energy: -15.377 bonds (distance) P-C4' energy: -12.658 flat angles C4'-P-C4' energy: -12.736 flat angles P-C4'-P energy: -10.561 tors. eta vs tors. theta energy: -16.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 118 Temperature: 1.150000 Total energy: -175.301093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.301093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.301093 (E_RNA) where: Base-Base interactions energy: -111.368 where: short stacking energy: -51.088 Base-Backbone interact. energy: -1.740 local terms energy: -62.193276 where: bonds (distance) C4'-P energy: -12.724 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -11.276 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: -15.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 118 Temperature: 1.200000 Total energy: -181.430176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.430176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.430176 (E_RNA) where: Base-Base interactions energy: -121.576 where: short stacking energy: -49.834 Base-Backbone interact. energy: -0.065 local terms energy: -59.789168 where: bonds (distance) C4'-P energy: -10.983 bonds (distance) P-C4' energy: -15.619 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -4.187 tors. eta vs tors. theta energy: -14.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 118 Temperature: 1.250000 Total energy: -78.063719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.063719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.063719 (E_RNA) where: Base-Base interactions energy: -30.491 where: short stacking energy: -30.491 Base-Backbone interact. energy: -0.086 local terms energy: -47.486528 where: bonds (distance) C4'-P energy: -15.288 bonds (distance) P-C4' energy: -11.551 flat angles C4'-P-C4' energy: -2.536 flat angles P-C4'-P energy: -9.438 tors. eta vs tors. theta energy: -8.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 118 Temperature: 1.300000 Total energy: -72.769214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.769214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.769214 (E_RNA) where: Base-Base interactions energy: -34.032 where: short stacking energy: -15.287 Base-Backbone interact. energy: -0.195 local terms energy: -38.542389 where: bonds (distance) C4'-P energy: -9.518 bonds (distance) P-C4' energy: -14.132 flat angles C4'-P-C4' energy: -8.514 flat angles P-C4'-P energy: -9.734 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: 10, replica: 7 ===================================== Write number: 118 Temperature: 1.350000 Total energy: -73.723700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.723700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.723700 (E_RNA) where: Base-Base interactions energy: -30.231 where: short stacking energy: -30.231 Base-Backbone interact. energy: -0.054 local terms energy: -43.438565 where: bonds (distance) C4'-P energy: -9.117 bonds (distance) P-C4' energy: -13.211 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -4.265 tors. eta vs tors. theta energy: -2.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 119 Temperature: 0.900000 Total energy: -205.525405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.525405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.525405 (E_RNA) where: Base-Base interactions energy: -138.611 where: short stacking energy: -62.899 Base-Backbone interact. energy: -0.100 local terms energy: -66.814810 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -13.760 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -10.464 tors. eta vs tors. theta energy: -15.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 119 Temperature: 0.950000 Total energy: -175.522576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.522576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.522576 (E_RNA) where: Base-Base interactions energy: -114.049 where: short stacking energy: -59.304 Base-Backbone interact. energy: -0.014 local terms energy: -61.460265 where: bonds (distance) C4'-P energy: -11.974 bonds (distance) P-C4' energy: -11.855 flat angles C4'-P-C4' energy: -11.549 flat angles P-C4'-P energy: -8.790 tors. eta vs tors. theta energy: -17.292 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: 3, replica: 3 ===================================== Write number: 119 Temperature: 1.000000 Total energy: -190.107176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.107176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.107176 (E_RNA) where: Base-Base interactions energy: -125.652 where: short stacking energy: -54.835 Base-Backbone interact. energy: -0.001 local terms energy: -64.455019 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -11.782 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -18.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 119 Temperature: 1.050000 Total energy: -169.896944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.896944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.896944 (E_RNA) where: Base-Base interactions energy: -109.848 where: short stacking energy: -52.569 Base-Backbone interact. energy: -0.027 local terms energy: -60.022102 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -8.049 flat angles C4'-P-C4' energy: -13.732 flat angles P-C4'-P energy: -9.640 tors. eta vs tors. theta energy: -14.513 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: 6 ===================================== Write number: 119 Temperature: 1.100000 Total energy: -152.462138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.462138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.462138 (E_RNA) where: Base-Base interactions energy: -98.415 where: short stacking energy: -47.849 Base-Backbone interact. energy: -0.045 local terms energy: -54.001559 where: bonds (distance) C4'-P energy: -12.261 bonds (distance) P-C4' energy: -11.875 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -8.885 tors. eta vs tors. theta energy: -7.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 119 Temperature: 1.150000 Total energy: -182.488887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.488887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.488887 (E_RNA) where: Base-Base interactions energy: -122.657 where: short stacking energy: -52.444 Base-Backbone interact. energy: -0.034 local terms energy: -59.797973 where: bonds (distance) C4'-P energy: -11.625 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -10.499 flat angles P-C4'-P energy: -12.586 tors. eta vs tors. theta energy: -13.366 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: 7, replica: 10 ===================================== Write number: 119 Temperature: 1.200000 Total energy: -144.670148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.670148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.670148 (E_RNA) where: Base-Base interactions energy: -82.871 where: short stacking energy: -47.511 Base-Backbone interact. energy: 0.101 local terms energy: -61.899723 where: bonds (distance) C4'-P energy: -14.139 bonds (distance) P-C4' energy: -9.145 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -11.926 tors. eta vs tors. theta energy: -13.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 119 Temperature: 1.250000 Total energy: -76.574461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.574461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.574461 (E_RNA) where: Base-Base interactions energy: -30.408 where: short stacking energy: -30.408 Base-Backbone interact. energy: -0.062 local terms energy: -46.104114 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -9.040 flat angles P-C4'-P energy: -3.804 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: 9, replica: 5 ===================================== Write number: 119 Temperature: 1.300000 Total energy: -83.868949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.868949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.868949 (E_RNA) where: Base-Base interactions energy: -38.325 where: short stacking energy: -38.325 Base-Backbone interact. energy: -0.003 local terms energy: -45.541014 where: bonds (distance) C4'-P energy: -10.255 bonds (distance) P-C4' energy: -10.521 flat angles C4'-P-C4' energy: -10.496 flat angles P-C4'-P energy: -2.941 tors. eta vs tors. theta energy: -11.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 119 Temperature: 1.350000 Total energy: -71.318968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.318968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.318968 (E_RNA) where: Base-Base interactions energy: -29.544 where: short stacking energy: -29.544 Base-Backbone interact. energy: -0.040 local terms energy: -41.735045 where: bonds (distance) C4'-P energy: -11.740 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -10.997 flat angles P-C4'-P energy: -3.621 tors. eta vs tors. theta energy: -1.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 120 Temperature: 0.900000 Total energy: -212.016050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.016050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.016050 (E_RNA) where: Base-Base interactions energy: -137.676 where: short stacking energy: -72.937 Base-Backbone interact. energy: -0.494 local terms energy: -73.846301 where: bonds (distance) C4'-P energy: -16.560 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -16.800 flat angles P-C4'-P energy: -9.059 tors. eta vs tors. theta energy: -18.424 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: 1 ===================================== Write number: 120 Temperature: 0.950000 Total energy: -192.972349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.972349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.972349 (E_RNA) where: Base-Base interactions energy: -128.412 where: short stacking energy: -59.497 Base-Backbone interact. energy: -0.036 local terms energy: -64.524014 where: bonds (distance) C4'-P energy: -11.386 bonds (distance) P-C4' energy: -13.581 flat angles C4'-P-C4' energy: -12.917 flat angles P-C4'-P energy: -10.153 tors. eta vs tors. theta energy: -16.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 120 Temperature: 1.000000 Total energy: -180.554688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.554688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.554688 (E_RNA) where: Base-Base interactions energy: -118.988 where: short stacking energy: -55.187 Base-Backbone interact. energy: -0.201 local terms energy: -61.365892 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -9.374 flat angles C4'-P-C4' energy: -15.920 flat angles P-C4'-P energy: -8.585 tors. eta vs tors. theta energy: -15.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 120 Temperature: 1.050000 Total energy: -178.383324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.383324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.383324 (E_RNA) where: Base-Base interactions energy: -111.950 where: short stacking energy: -48.512 Base-Backbone interact. energy: 0.120 local terms energy: -66.553866 where: bonds (distance) C4'-P energy: -15.015 bonds (distance) P-C4' energy: -11.027 flat angles C4'-P-C4' energy: -14.599 flat angles P-C4'-P energy: -10.546 tors. eta vs tors. theta energy: -15.366 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: 4 ===================================== Write number: 120 Temperature: 1.100000 Total energy: -192.339308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.339308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.339308 (E_RNA) where: Base-Base interactions energy: -126.001 where: short stacking energy: -62.378 Base-Backbone interact. energy: -0.008 local terms energy: -66.331290 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -19.703 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: 6 ===================================== Write number: 120 Temperature: 1.150000 Total energy: -148.917193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.917193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.917193 (E_RNA) where: Base-Base interactions energy: -100.874 where: short stacking energy: -43.497 Base-Backbone interact. energy: -0.088 local terms energy: -47.955560 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -11.299 flat angles C4'-P-C4' energy: -12.510 flat angles P-C4'-P energy: -5.737 tors. eta vs tors. theta energy: -7.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 120 Temperature: 1.200000 Total energy: -142.744121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.744121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.744121 (E_RNA) where: Base-Base interactions energy: -93.931 where: short stacking energy: -38.742 Base-Backbone interact. energy: -0.088 local terms energy: -48.725945 where: bonds (distance) C4'-P energy: -7.287 bonds (distance) P-C4' energy: -16.586 flat angles C4'-P-C4' energy: -5.764 flat angles P-C4'-P energy: -10.626 tors. eta vs tors. theta energy: -8.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 120 Temperature: 1.250000 Total energy: -77.792936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.792936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.792936 (E_RNA) where: Base-Base interactions energy: -29.795 where: short stacking energy: -28.702 Base-Backbone interact. energy: 0.677 local terms energy: -48.674246 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -8.418 flat angles C4'-P-C4' energy: -11.286 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: -7.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 120 Temperature: 1.300000 Total energy: -72.098109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.098109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.098109 (E_RNA) where: Base-Base interactions energy: -37.331 where: short stacking energy: -27.980 Base-Backbone interact. energy: -0.100 local terms energy: -34.666980 where: bonds (distance) C4'-P energy: -11.976 bonds (distance) P-C4' energy: -4.661 flat angles C4'-P-C4' energy: -9.357 flat angles P-C4'-P energy: -5.632 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: 10, replica: 5 ===================================== Write number: 120 Temperature: 1.350000 Total energy: -72.943422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.943422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.943422 (E_RNA) where: Base-Base interactions energy: -27.789 where: short stacking energy: -26.606 Base-Backbone interact. energy: -0.856 local terms energy: -44.298480 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -11.709 flat angles C4'-P-C4' energy: -11.483 flat angles P-C4'-P energy: -3.286 tors. eta vs tors. theta energy: -4.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 121 Temperature: 0.900000 Total energy: -212.615746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.615746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.615746 (E_RNA) where: Base-Base interactions energy: -138.380 where: short stacking energy: -63.838 Base-Backbone interact. energy: -0.122 local terms energy: -74.113262 where: bonds (distance) C4'-P energy: -14.140 bonds (distance) P-C4' energy: -13.786 flat angles C4'-P-C4' energy: -15.509 flat angles P-C4'-P energy: -10.812 tors. eta vs tors. theta energy: -19.866 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: 1 ===================================== Write number: 121 Temperature: 0.950000 Total energy: -193.841613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.841613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.841613 (E_RNA) where: Base-Base interactions energy: -121.124 where: short stacking energy: -59.698 Base-Backbone interact. energy: -0.086 local terms energy: -72.631861 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -13.130 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -11.623 tors. eta vs tors. theta energy: -18.956 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: 3 ===================================== Write number: 121 Temperature: 1.000000 Total energy: -176.836586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.836586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.836586 (E_RNA) where: Base-Base interactions energy: -115.711 where: short stacking energy: -44.715 Base-Backbone interact. energy: -0.325 local terms energy: -60.800529 where: bonds (distance) C4'-P energy: -15.189 bonds (distance) P-C4' energy: -13.737 flat angles C4'-P-C4' energy: -13.552 flat angles P-C4'-P energy: -9.138 tors. eta vs tors. theta energy: -9.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 121 Temperature: 1.050000 Total energy: -195.017217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.017217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.017217 (E_RNA) where: Base-Base interactions energy: -129.620 where: short stacking energy: -51.092 Base-Backbone interact. energy: 0.154 local terms energy: -65.551351 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -13.351 flat angles P-C4'-P energy: -8.799 tors. eta vs tors. theta energy: -13.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 121 Temperature: 1.100000 Total energy: -170.662636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.662636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.662636 (E_RNA) where: Base-Base interactions energy: -110.792 where: short stacking energy: -46.163 Base-Backbone interact. energy: 0.124 local terms energy: -59.995042 where: bonds (distance) C4'-P energy: -9.327 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -11.844 flat angles P-C4'-P energy: -9.750 tors. eta vs tors. theta energy: -14.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 121 Temperature: 1.150000 Total energy: -163.378710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.378710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.378710 (E_RNA) where: Base-Base interactions energy: -100.807 where: short stacking energy: -45.862 Base-Backbone interact. energy: -0.142 local terms energy: -62.430017 where: bonds (distance) C4'-P energy: -10.863 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -13.015 flat angles P-C4'-P energy: -12.096 tors. eta vs tors. theta energy: -14.212 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: 121 Temperature: 1.200000 Total energy: -163.275868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.275868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.275868 (E_RNA) where: Base-Base interactions energy: -103.496 where: short stacking energy: -54.157 Base-Backbone interact. energy: -0.366 local terms energy: -59.413501 where: bonds (distance) C4'-P energy: -12.319 bonds (distance) P-C4' energy: -11.931 flat angles C4'-P-C4' energy: -9.660 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -14.922 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: 8 ===================================== Write number: 121 Temperature: 1.250000 Total energy: -76.701029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.701029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.701029 (E_RNA) where: Base-Base interactions energy: -29.203 where: short stacking energy: -29.203 Base-Backbone interact. energy: -0.312 local terms energy: -47.185605 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -11.982 flat angles C4'-P-C4' energy: -13.415 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -4.878 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 121 Temperature: 1.300000 Total energy: -73.713053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.713053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.713053 (E_RNA) where: Base-Base interactions energy: -30.734 where: short stacking energy: -30.734 Base-Backbone interact. energy: -0.070 local terms energy: -42.909542 where: bonds (distance) C4'-P energy: -11.712 bonds (distance) P-C4' energy: -11.553 flat angles C4'-P-C4' energy: -10.346 flat angles P-C4'-P energy: -2.984 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 121 Temperature: 1.350000 Total energy: -73.733970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.733970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.733970 (E_RNA) where: Base-Base interactions energy: -30.353 where: short stacking energy: -28.159 Base-Backbone interact. energy: -0.142 local terms energy: -43.238946 where: bonds (distance) C4'-P energy: -10.760 bonds (distance) P-C4' energy: -11.457 flat angles C4'-P-C4' energy: -10.644 flat angles P-C4'-P energy: -7.829 tors. eta vs tors. theta energy: -2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 122 Temperature: 0.900000 Total energy: -213.240395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.240395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.240395 (E_RNA) where: Base-Base interactions energy: -135.585 where: short stacking energy: -64.476 Base-Backbone interact. energy: -0.002 local terms energy: -77.653773 where: bonds (distance) C4'-P energy: -14.147 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -15.137 flat angles P-C4'-P energy: -12.237 tors. eta vs tors. theta energy: -21.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 122 Temperature: 0.950000 Total energy: -193.667999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.667999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.667999 (E_RNA) where: Base-Base interactions energy: -127.779 where: short stacking energy: -63.105 Base-Backbone interact. energy: 0.214 local terms energy: -66.102930 where: bonds (distance) C4'-P energy: -11.693 bonds (distance) P-C4' energy: -10.613 flat angles C4'-P-C4' energy: -13.225 flat angles P-C4'-P energy: -9.756 tors. eta vs tors. theta energy: -20.816 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: 3, replica: 4 ===================================== Write number: 122 Temperature: 1.000000 Total energy: -204.255465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.255465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.255465 (E_RNA) where: Base-Base interactions energy: -141.400 where: short stacking energy: -67.193 Base-Backbone interact. energy: -0.313 local terms energy: -62.542712 where: bonds (distance) C4'-P energy: -9.041 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -9.591 tors. eta vs tors. theta energy: -17.835 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 122 Temperature: 1.050000 Total energy: -173.506526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.506526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.506526 (E_RNA) where: Base-Base interactions energy: -117.769 where: short stacking energy: -52.261 Base-Backbone interact. energy: -0.005 local terms energy: -55.732307 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -9.238 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -11.194 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: 5, replica: 10 ===================================== Write number: 122 Temperature: 1.100000 Total energy: -169.602110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.602110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.602110 (E_RNA) where: Base-Base interactions energy: -106.985 where: short stacking energy: -51.003 Base-Backbone interact. energy: -0.008 local terms energy: -62.608612 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -11.085 tors. eta vs tors. theta energy: -13.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 122 Temperature: 1.150000 Total energy: -171.023979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.023979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.023979 (E_RNA) where: Base-Base interactions energy: -113.631 where: short stacking energy: -42.248 Base-Backbone interact. energy: -0.891 local terms energy: -56.502095 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -12.282 flat angles C4'-P-C4' energy: -10.212 flat angles P-C4'-P energy: -8.637 tors. eta vs tors. theta energy: -11.514 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: 6 ===================================== Write number: 122 Temperature: 1.200000 Total energy: -166.732521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.732521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.732521 (E_RNA) where: Base-Base interactions energy: -106.508 where: short stacking energy: -49.820 Base-Backbone interact. energy: -0.006 local terms energy: -60.219151 where: bonds (distance) C4'-P energy: -15.488 bonds (distance) P-C4' energy: -11.400 flat angles C4'-P-C4' energy: -14.065 flat angles P-C4'-P energy: -6.306 tors. eta vs tors. theta energy: -12.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 122 Temperature: 1.250000 Total energy: -87.234393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.234393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.234393 (E_RNA) where: Base-Base interactions energy: -35.941 where: short stacking energy: -35.941 Base-Backbone interact. energy: -0.002 local terms energy: -51.291620 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -9.977 flat angles P-C4'-P energy: -10.017 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: 9, replica: 5 ===================================== Write number: 122 Temperature: 1.300000 Total energy: -70.315153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.315153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.315153 (E_RNA) where: Base-Base interactions energy: -31.763 where: short stacking energy: -27.566 Base-Backbone interact. energy: -0.129 local terms energy: -38.423124 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -8.129 flat angles P-C4'-P energy: -7.282 tors. eta vs tors. theta energy: 0.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 122 Temperature: 1.350000 Total energy: -69.944825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.944825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.944825 (E_RNA) where: Base-Base interactions energy: -27.184 where: short stacking energy: -27.184 Base-Backbone interact. energy: -0.095 local terms energy: -42.666134 where: bonds (distance) C4'-P energy: -12.896 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -11.113 flat angles P-C4'-P energy: -6.159 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: 1, replica: 9 ===================================== Write number: 123 Temperature: 0.900000 Total energy: -211.804241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.804241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.804241 (E_RNA) where: Base-Base interactions energy: -142.398 where: short stacking energy: -67.208 Base-Backbone interact. energy: -0.002 local terms energy: -69.404156 where: bonds (distance) C4'-P energy: -14.349 bonds (distance) P-C4' energy: -10.674 flat angles C4'-P-C4' energy: -16.101 flat angles P-C4'-P energy: -11.325 tors. eta vs tors. theta energy: -16.955 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: 4 ===================================== Write number: 123 Temperature: 0.950000 Total energy: -191.944446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.944446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.944446 (E_RNA) where: Base-Base interactions energy: -128.587 where: short stacking energy: -55.562 Base-Backbone interact. energy: -0.063 local terms energy: -63.294446 where: bonds (distance) C4'-P energy: -14.105 bonds (distance) P-C4' energy: -12.261 flat angles C4'-P-C4' energy: -14.898 flat angles P-C4'-P energy: -10.399 tors. eta vs tors. theta energy: -11.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 123 Temperature: 1.000000 Total energy: -184.882676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.882676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.882676 (E_RNA) where: Base-Base interactions energy: -119.523 where: short stacking energy: -55.115 Base-Backbone interact. energy: 0.109 local terms energy: -65.469112 where: bonds (distance) C4'-P energy: -11.730 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -11.081 tors. eta vs tors. theta energy: -15.257 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: 123 Temperature: 1.050000 Total energy: -163.491436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.491436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.491436 (E_RNA) where: Base-Base interactions energy: -105.677 where: short stacking energy: -46.131 Base-Backbone interact. energy: -0.041 local terms energy: -57.773878 where: bonds (distance) C4'-P energy: -12.875 bonds (distance) P-C4' energy: -12.010 flat angles C4'-P-C4' energy: -15.333 flat angles P-C4'-P energy: -8.052 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: 5, replica: 3 ===================================== Write number: 123 Temperature: 1.100000 Total energy: -164.260712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.260712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.260712 (E_RNA) where: Base-Base interactions energy: -103.232 where: short stacking energy: -47.857 Base-Backbone interact. energy: -0.228 local terms energy: -60.800481 where: bonds (distance) C4'-P energy: -12.954 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -12.992 flat angles P-C4'-P energy: -9.223 tors. eta vs tors. theta energy: -11.682 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 123 Temperature: 1.150000 Total energy: -171.347368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.347368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.347368 (E_RNA) where: Base-Base interactions energy: -112.752 where: short stacking energy: -58.755 Base-Backbone interact. energy: -0.009 local terms energy: -58.585741 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -10.570 flat angles C4'-P-C4' energy: -12.326 flat angles P-C4'-P energy: -8.501 tors. eta vs tors. theta energy: -13.998 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: 2 ===================================== Write number: 123 Temperature: 1.200000 Total energy: -171.482710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.482710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.482710 (E_RNA) where: Base-Base interactions energy: -108.180 where: short stacking energy: -41.168 Base-Backbone interact. energy: -0.322 local terms energy: -62.980616 where: bonds (distance) C4'-P energy: -10.132 bonds (distance) P-C4' energy: -12.001 flat angles C4'-P-C4' energy: -14.048 flat angles P-C4'-P energy: -12.397 tors. eta vs tors. theta energy: -14.403 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: 8, replica: 5 ===================================== Write number: 123 Temperature: 1.250000 Total energy: -96.165217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.165217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.165217 (E_RNA) where: Base-Base interactions energy: -55.152 where: short stacking energy: -30.942 Base-Backbone interact. energy: -0.148 local terms energy: -40.864920 where: bonds (distance) C4'-P energy: -6.003 bonds (distance) P-C4' energy: -10.556 flat angles C4'-P-C4' energy: -9.171 flat angles P-C4'-P energy: -10.392 tors. eta vs tors. theta energy: -4.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 123 Temperature: 1.300000 Total energy: -70.330259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.330259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.330259 (E_RNA) where: Base-Base interactions energy: -27.487 where: short stacking energy: -27.487 Base-Backbone interact. energy: -0.078 local terms energy: -42.765181 where: bonds (distance) C4'-P energy: -8.780 bonds (distance) P-C4' energy: -13.212 flat angles C4'-P-C4' energy: -10.965 flat angles P-C4'-P energy: -5.942 tors. eta vs tors. theta energy: -3.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 123 Temperature: 1.350000 Total energy: -72.318240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.318240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.318240 (E_RNA) where: Base-Base interactions energy: -29.754 where: short stacking energy: -29.754 Base-Backbone interact. energy: -0.019 local terms energy: -42.544843 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -11.887 flat angles C4'-P-C4' energy: -12.864 flat angles P-C4'-P energy: -3.026 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: 1, replica: 4 ===================================== Write number: 124 Temperature: 0.900000 Total energy: -210.281066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.281066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.281066 (E_RNA) where: Base-Base interactions energy: -134.091 where: short stacking energy: -55.747 Base-Backbone interact. energy: -0.027 local terms energy: -76.163082 where: bonds (distance) C4'-P energy: -15.377 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -15.460 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -19.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 124 Temperature: 0.950000 Total energy: -204.784045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.784045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.784045 (E_RNA) where: Base-Base interactions energy: -143.029 where: short stacking energy: -68.596 Base-Backbone interact. energy: -0.007 local terms energy: -61.748133 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -9.783 flat angles C4'-P-C4' energy: -14.598 flat angles P-C4'-P energy: -8.532 tors. eta vs tors. theta energy: -16.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 124 Temperature: 1.000000 Total energy: -168.882593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.882593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.882593 (E_RNA) where: Base-Base interactions energy: -113.318 where: short stacking energy: -46.656 Base-Backbone interact. energy: -0.134 local terms energy: -55.430506 where: bonds (distance) C4'-P energy: -11.413 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -13.868 flat angles P-C4'-P energy: -7.502 tors. eta vs tors. theta energy: -10.059 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: 1 ===================================== Write number: 124 Temperature: 1.050000 Total energy: -183.049869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.049869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.049869 (E_RNA) where: Base-Base interactions energy: -125.386 where: short stacking energy: -44.661 Base-Backbone interact. energy: -0.641 local terms energy: -57.022601 where: bonds (distance) C4'-P energy: -10.264 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -13.949 flat angles P-C4'-P energy: -10.345 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: 5, replica: 3 ===================================== Write number: 124 Temperature: 1.100000 Total energy: -181.735972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.735972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.735972 (E_RNA) where: Base-Base interactions energy: -114.150 where: short stacking energy: -57.012 Base-Backbone interact. energy: -1.646 local terms energy: -65.939964 where: bonds (distance) C4'-P energy: -13.877 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -9.349 flat angles P-C4'-P energy: -10.682 tors. eta vs tors. theta energy: -17.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 124 Temperature: 1.150000 Total energy: -165.705673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.705673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.705673 (E_RNA) where: Base-Base interactions energy: -107.750 where: short stacking energy: -48.927 Base-Backbone interact. energy: -0.124 local terms energy: -57.831840 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -10.585 tors. eta vs tors. theta energy: -9.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 124 Temperature: 1.200000 Total energy: -93.324911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.324911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.324911 (E_RNA) where: Base-Base interactions energy: -38.235 where: short stacking energy: -31.937 Base-Backbone interact. energy: -0.142 local terms energy: -54.948022 where: bonds (distance) C4'-P energy: -10.458 bonds (distance) P-C4' energy: -14.568 flat angles C4'-P-C4' energy: -15.327 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -7.231 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 124 Temperature: 1.250000 Total energy: -159.166327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.166327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.166327 (E_RNA) where: Base-Base interactions energy: -100.315 where: short stacking energy: -52.855 Base-Backbone interact. energy: -0.379 local terms energy: -58.471724 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -13.920 flat angles C4'-P-C4' energy: -14.468 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: -8.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 124 Temperature: 1.300000 Total energy: -73.415235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.415235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.415235 (E_RNA) where: Base-Base interactions energy: -27.319 where: short stacking energy: -26.964 Base-Backbone interact. energy: 0.718 local terms energy: -46.814186 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -11.671 flat angles P-C4'-P energy: -7.071 tors. eta vs tors. theta energy: -3.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 124 Temperature: 1.350000 Total energy: -65.460577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.460577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.460577 (E_RNA) where: Base-Base interactions energy: -24.842 where: short stacking energy: -24.842 Base-Backbone interact. energy: -0.951 local terms energy: -39.667269 where: bonds (distance) C4'-P energy: -8.591 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -11.299 flat angles P-C4'-P energy: -6.554 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: 1, replica: 4 ===================================== Write number: 125 Temperature: 0.900000 Total energy: -209.115168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.115168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.115168 (E_RNA) where: Base-Base interactions energy: -144.339 where: short stacking energy: -71.291 Base-Backbone interact. energy: -0.000 local terms energy: -64.775343 where: bonds (distance) C4'-P energy: -12.466 bonds (distance) P-C4' energy: -13.124 flat angles C4'-P-C4' energy: -12.894 flat angles P-C4'-P energy: -6.422 tors. eta vs tors. theta energy: -19.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 125 Temperature: 0.950000 Total energy: -173.046545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.046545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.046545 (E_RNA) where: Base-Base interactions energy: -111.469 where: short stacking energy: -45.319 Base-Backbone interact. energy: -1.160 local terms energy: -60.416996 where: bonds (distance) C4'-P energy: -13.803 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -9.157 tors. eta vs tors. theta energy: -10.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 125 Temperature: 1.000000 Total energy: -196.000783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.000783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.000783 (E_RNA) where: Base-Base interactions energy: -128.300 where: short stacking energy: -64.855 Base-Backbone interact. energy: -0.020 local terms energy: -67.680092 where: bonds (distance) C4'-P energy: -12.205 bonds (distance) P-C4' energy: -13.555 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -11.147 tors. eta vs tors. theta energy: -17.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 125 Temperature: 1.050000 Total energy: -180.522666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.522666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.522666 (E_RNA) where: Base-Base interactions energy: -117.427 where: short stacking energy: -57.790 Base-Backbone interact. energy: -0.023 local terms energy: -63.073265 where: bonds (distance) C4'-P energy: -13.849 bonds (distance) P-C4' energy: -11.967 flat angles C4'-P-C4' energy: -15.554 flat angles P-C4'-P energy: -7.453 tors. eta vs tors. theta energy: -14.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 125 Temperature: 1.100000 Total energy: -173.587426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.587426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.587426 (E_RNA) where: Base-Base interactions energy: -106.944 where: short stacking energy: -48.700 Base-Backbone interact. energy: -0.151 local terms energy: -66.492297 where: bonds (distance) C4'-P energy: -14.825 bonds (distance) P-C4' energy: -15.268 flat angles C4'-P-C4' energy: -11.912 flat angles P-C4'-P energy: -8.753 tors. eta vs tors. theta energy: -15.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 125 Temperature: 1.150000 Total energy: -165.597183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.597183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.597183 (E_RNA) where: Base-Base interactions energy: -109.040 where: short stacking energy: -45.233 Base-Backbone interact. energy: -0.001 local terms energy: -56.556061 where: bonds (distance) C4'-P energy: -9.381 bonds (distance) P-C4' energy: -12.494 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -6.983 tors. eta vs tors. theta energy: -13.700 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: 7, replica: 5 ===================================== Write number: 125 Temperature: 1.200000 Total energy: -94.621768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.621768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.621768 (E_RNA) where: Base-Base interactions energy: -39.875 where: short stacking energy: -39.875 Base-Backbone interact. energy: -0.142 local terms energy: -54.604789 where: bonds (distance) C4'-P energy: -11.953 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -7.855 tors. eta vs tors. theta energy: -8.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 125 Temperature: 1.250000 Total energy: -76.636384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.636384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.636384 (E_RNA) where: Base-Base interactions energy: -26.847 where: short stacking energy: -26.847 Base-Backbone interact. energy: -0.180 local terms energy: -49.610140 where: bonds (distance) C4'-P energy: -12.427 bonds (distance) P-C4' energy: -10.966 flat angles C4'-P-C4' energy: -15.808 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -6.290 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: 2 ===================================== Write number: 125 Temperature: 1.300000 Total energy: -150.599272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.599272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.599272 (E_RNA) where: Base-Base interactions energy: -94.530 where: short stacking energy: -37.717 Base-Backbone interact. energy: -0.097 local terms energy: -55.971544 where: bonds (distance) C4'-P energy: -10.470 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -16.068 flat angles P-C4'-P energy: -5.940 tors. eta vs tors. theta energy: -11.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 125 Temperature: 1.350000 Total energy: -79.891356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.891356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.891356 (E_RNA) where: Base-Base interactions energy: -31.738 where: short stacking energy: -18.541 Base-Backbone interact. energy: -0.227 local terms energy: -47.926350 where: bonds (distance) C4'-P energy: -10.677 bonds (distance) P-C4' energy: -11.674 flat angles C4'-P-C4' energy: -9.785 flat angles P-C4'-P energy: -11.531 tors. eta vs tors. theta energy: -4.259 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 126 Temperature: 0.900000 Total energy: -191.561413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.561413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.561413 (E_RNA) where: Base-Base interactions energy: -122.434 where: short stacking energy: -55.931 Base-Backbone interact. energy: -0.100 local terms energy: -69.027032 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -14.776 flat angles C4'-P-C4' energy: -12.983 flat angles P-C4'-P energy: -8.984 tors. eta vs tors. theta energy: -19.413 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: 2, replica: 4 ===================================== Write number: 126 Temperature: 0.950000 Total energy: -208.697579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.697579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.697579 (E_RNA) where: Base-Base interactions energy: -140.537 where: short stacking energy: -66.390 Base-Backbone interact. energy: -0.014 local terms energy: -68.146809 where: bonds (distance) C4'-P energy: -13.510 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -13.435 flat angles P-C4'-P energy: -9.949 tors. eta vs tors. theta energy: -17.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 126 Temperature: 1.000000 Total energy: -183.887826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.887826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.887826 (E_RNA) where: Base-Base interactions energy: -120.079 where: short stacking energy: -62.982 Base-Backbone interact. energy: -0.006 local terms energy: -63.802561 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -13.695 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -6.419 tors. eta vs tors. theta energy: -17.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 126 Temperature: 1.050000 Total energy: -189.052341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.052341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.052341 (E_RNA) where: Base-Base interactions energy: -120.393 where: short stacking energy: -61.161 Base-Backbone interact. energy: -0.024 local terms energy: -68.635046 where: bonds (distance) C4'-P energy: -11.700 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -12.639 flat angles P-C4'-P energy: -12.204 tors. eta vs tors. theta energy: -16.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 126 Temperature: 1.100000 Total energy: -176.608493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.608493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.608493 (E_RNA) where: Base-Base interactions energy: -112.845 where: short stacking energy: -46.095 Base-Backbone interact. energy: -0.007 local terms energy: -63.755733 where: bonds (distance) C4'-P energy: -14.245 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -15.541 flat angles P-C4'-P energy: -8.346 tors. eta vs tors. theta energy: -11.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 126 Temperature: 1.150000 Total energy: -177.126510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.126510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.126510 (E_RNA) where: Base-Base interactions energy: -116.901 where: short stacking energy: -53.944 Base-Backbone interact. energy: -0.081 local terms energy: -60.145333 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -14.873 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -3.849 tors. eta vs tors. theta energy: -14.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 126 Temperature: 1.200000 Total energy: -84.695382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.695382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.695382 (E_RNA) where: Base-Base interactions energy: -40.964 where: short stacking energy: -32.646 Base-Backbone interact. energy: 0.182 local terms energy: -43.913468 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -11.530 flat angles C4'-P-C4' energy: -9.886 flat angles P-C4'-P energy: -8.653 tors. eta vs tors. theta energy: -0.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 126 Temperature: 1.250000 Total energy: -80.191982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.191982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.191982 (E_RNA) where: Base-Base interactions energy: -33.984 where: short stacking energy: -33.883 Base-Backbone interact. energy: -0.017 local terms energy: -46.191564 where: bonds (distance) C4'-P energy: -7.208 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -10.130 tors. eta vs tors. theta energy: -1.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 126 Temperature: 1.300000 Total energy: -147.237416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -147.237416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -147.237416 (E_RNA) where: Base-Base interactions energy: -94.663 where: short stacking energy: -45.324 Base-Backbone interact. energy: -0.071 local terms energy: -52.503346 where: bonds (distance) C4'-P energy: -8.115 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -13.984 flat angles P-C4'-P energy: -6.778 tors. eta vs tors. theta energy: -11.109 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: 126 Temperature: 1.350000 Total energy: -73.642397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.642397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.642397 (E_RNA) where: Base-Base interactions energy: -28.050 where: short stacking energy: -28.050 Base-Backbone interact. energy: -0.137 local terms energy: -45.455021 where: bonds (distance) C4'-P energy: -12.784 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -11.475 flat angles P-C4'-P energy: -2.226 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: 1, replica: 10 ===================================== Write number: 127 Temperature: 0.900000 Total energy: -194.841730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.841730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.841730 (E_RNA) where: Base-Base interactions energy: -126.089 where: short stacking energy: -64.816 Base-Backbone interact. energy: -0.014 local terms energy: -68.738640 where: bonds (distance) C4'-P energy: -14.127 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -13.856 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -18.634 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: 127 Temperature: 0.950000 Total energy: -186.324315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.324315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.324315 (E_RNA) where: Base-Base interactions energy: -114.787 where: short stacking energy: -60.176 Base-Backbone interact. energy: -0.026 local terms energy: -71.511662 where: bonds (distance) C4'-P energy: -12.035 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -15.992 flat angles P-C4'-P energy: -11.511 tors. eta vs tors. theta energy: -19.157 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 127 Temperature: 1.000000 Total energy: -195.868996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.868996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.868996 (E_RNA) where: Base-Base interactions energy: -124.736 where: short stacking energy: -53.454 Base-Backbone interact. energy: -0.303 local terms energy: -70.829871 where: bonds (distance) C4'-P energy: -14.005 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -15.385 flat angles P-C4'-P energy: -10.001 tors. eta vs tors. theta energy: -15.281 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: 9 ===================================== Write number: 127 Temperature: 1.050000 Total energy: -185.289911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.289911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.289911 (E_RNA) where: Base-Base interactions energy: -124.494 where: short stacking energy: -60.359 Base-Backbone interact. energy: -0.085 local terms energy: -60.710612 where: bonds (distance) C4'-P energy: -10.427 bonds (distance) P-C4' energy: -13.502 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -17.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 127 Temperature: 1.100000 Total energy: -170.900688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.900688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.900688 (E_RNA) where: Base-Base interactions energy: -111.707 where: short stacking energy: -55.131 Base-Backbone interact. energy: -0.037 local terms energy: -59.156073 where: bonds (distance) C4'-P energy: -13.604 bonds (distance) P-C4' energy: -11.620 flat angles C4'-P-C4' energy: -12.010 flat angles P-C4'-P energy: -7.026 tors. eta vs tors. theta energy: -14.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 127 Temperature: 1.150000 Total energy: -159.257541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.257541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.257541 (E_RNA) where: Base-Base interactions energy: -101.435 where: short stacking energy: -46.420 Base-Backbone interact. energy: -0.129 local terms energy: -57.693200 where: bonds (distance) C4'-P energy: -11.406 bonds (distance) P-C4' energy: -12.880 flat angles C4'-P-C4' energy: -13.972 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -10.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 127 Temperature: 1.200000 Total energy: -85.303126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.303126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.303126 (E_RNA) where: Base-Base interactions energy: -28.322 where: short stacking energy: -28.109 Base-Backbone interact. energy: -0.883 local terms energy: -56.098101 where: bonds (distance) C4'-P energy: -15.289 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -10.418 flat angles P-C4'-P energy: -10.452 tors. eta vs tors. theta energy: -4.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 127 Temperature: 1.250000 Total energy: -90.982525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.982525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.982525 (E_RNA) where: Base-Base interactions energy: -38.420 where: short stacking energy: -37.662 Base-Backbone interact. energy: -0.646 local terms energy: -51.916256 where: bonds (distance) C4'-P energy: -11.978 bonds (distance) P-C4' energy: -13.121 flat angles C4'-P-C4' energy: -12.201 flat angles P-C4'-P energy: -10.170 tors. eta vs tors. theta energy: -4.445 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: 5 ===================================== Write number: 127 Temperature: 1.300000 Total energy: -79.379939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.379939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.379939 (E_RNA) where: Base-Base interactions energy: -36.370 where: short stacking energy: -35.151 Base-Backbone interact. energy: -0.740 local terms energy: -42.269913 where: bonds (distance) C4'-P energy: -8.822 bonds (distance) P-C4' energy: -10.078 flat angles C4'-P-C4' energy: -4.552 flat angles P-C4'-P energy: -9.280 tors. eta vs tors. theta energy: -9.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 127 Temperature: 1.350000 Total energy: -87.535256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.535256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.535256 (E_RNA) where: Base-Base interactions energy: -33.117 where: short stacking energy: -30.338 Base-Backbone interact. energy: -1.781 local terms energy: -52.637589 where: bonds (distance) C4'-P energy: -13.762 bonds (distance) P-C4' energy: -10.588 flat angles C4'-P-C4' energy: -15.243 flat angles P-C4'-P energy: -8.206 tors. eta vs tors. theta energy: -4.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 128 Temperature: 0.900000 Total energy: -197.077480 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.077480 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.077480 (E_RNA) where: Base-Base interactions energy: -130.506 where: short stacking energy: -57.671 Base-Backbone interact. energy: -0.017 local terms energy: -66.554723 where: bonds (distance) C4'-P energy: -11.870 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -14.865 flat angles P-C4'-P energy: -9.615 tors. eta vs tors. theta energy: -16.532 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 128 Temperature: 0.950000 Total energy: -199.635844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.635844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.635844 (E_RNA) where: Base-Base interactions energy: -129.864 where: short stacking energy: -64.120 Base-Backbone interact. energy: -0.002 local terms energy: -69.769519 where: bonds (distance) C4'-P energy: -13.621 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -11.756 flat angles P-C4'-P energy: -11.562 tors. eta vs tors. theta energy: -18.168 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: 4 ===================================== Write number: 128 Temperature: 1.000000 Total energy: -204.055354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.055354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.055354 (E_RNA) where: Base-Base interactions energy: -132.723 where: short stacking energy: -61.994 Base-Backbone interact. energy: -0.001 local terms energy: -71.331751 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -15.364 flat angles C4'-P-C4' energy: -15.764 flat angles P-C4'-P energy: -11.525 tors. eta vs tors. theta energy: -17.617 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: 9 ===================================== Write number: 128 Temperature: 1.050000 Total energy: -198.332793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.332793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.332793 (E_RNA) where: Base-Base interactions energy: -132.031 where: short stacking energy: -50.280 Base-Backbone interact. energy: -0.335 local terms energy: -65.967139 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -15.395 flat angles P-C4'-P energy: -10.084 tors. eta vs tors. theta energy: -14.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 128 Temperature: 1.100000 Total energy: -154.136392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.136392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.136392 (E_RNA) where: Base-Base interactions energy: -99.089 where: short stacking energy: -46.387 Base-Backbone interact. energy: 0.871 local terms energy: -55.918659 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -6.830 tors. eta vs tors. theta energy: -10.941 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: 6 ===================================== Write number: 128 Temperature: 1.150000 Total energy: -176.160043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.160043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.160043 (E_RNA) where: Base-Base interactions energy: -116.915 where: short stacking energy: -59.149 Base-Backbone interact. energy: -0.066 local terms energy: -59.179731 where: bonds (distance) C4'-P energy: -10.776 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -15.584 flat angles P-C4'-P energy: -6.263 tors. eta vs tors. theta energy: -14.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 128 Temperature: 1.200000 Total energy: -101.545729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.545729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.545729 (E_RNA) where: Base-Base interactions energy: -45.608 where: short stacking energy: -28.661 Base-Backbone interact. energy: -0.656 local terms energy: -55.281569 where: bonds (distance) C4'-P energy: -12.164 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -11.890 flat angles P-C4'-P energy: -11.345 tors. eta vs tors. theta energy: -6.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 128 Temperature: 1.250000 Total energy: -97.678402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.678402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.678402 (E_RNA) where: Base-Base interactions energy: -48.914 where: short stacking energy: -27.802 Base-Backbone interact. energy: -1.005 local terms energy: -47.759494 where: bonds (distance) C4'-P energy: -11.117 bonds (distance) P-C4' energy: -14.924 flat angles C4'-P-C4' energy: -9.873 flat angles P-C4'-P energy: -8.522 tors. eta vs tors. theta energy: -3.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 128 Temperature: 1.300000 Total energy: -70.087399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.087399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.087399 (E_RNA) where: Base-Base interactions energy: -29.949 where: short stacking energy: -29.949 Base-Backbone interact. energy: -0.159 local terms energy: -39.979661 where: bonds (distance) C4'-P energy: -12.243 bonds (distance) P-C4' energy: -13.810 flat angles C4'-P-C4' energy: -6.740 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -1.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 128 Temperature: 1.350000 Total energy: -69.561836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.561836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.561836 (E_RNA) where: Base-Base interactions energy: -32.761 where: short stacking energy: -24.890 Base-Backbone interact. energy: -0.051 local terms energy: -36.749405 where: bonds (distance) C4'-P energy: -5.842 bonds (distance) P-C4' energy: -15.777 flat angles C4'-P-C4' energy: -7.739 flat angles P-C4'-P energy: -5.013 tors. eta vs tors. theta energy: -2.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 129 Temperature: 0.900000 Total energy: -190.208594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.208594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.208594 (E_RNA) where: Base-Base interactions energy: -125.461 where: short stacking energy: -57.964 Base-Backbone interact. energy: -0.521 local terms energy: -64.227526 where: bonds (distance) C4'-P energy: -10.483 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -12.368 tors. eta vs tors. theta energy: -15.190 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: 4 ===================================== Write number: 129 Temperature: 0.950000 Total energy: -193.106780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.106780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.106780 (E_RNA) where: Base-Base interactions energy: -122.252 where: short stacking energy: -59.179 Base-Backbone interact. energy: -0.585 local terms energy: -70.270520 where: bonds (distance) C4'-P energy: -14.780 bonds (distance) P-C4' energy: -15.508 flat angles C4'-P-C4' energy: -14.949 flat angles P-C4'-P energy: -11.835 tors. eta vs tors. theta energy: -13.199 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 129 Temperature: 1.000000 Total energy: -187.066858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.066858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.066858 (E_RNA) where: Base-Base interactions energy: -123.248 where: short stacking energy: -57.012 Base-Backbone interact. energy: -0.119 local terms energy: -63.700545 where: bonds (distance) C4'-P energy: -15.447 bonds (distance) P-C4' energy: -11.172 flat angles C4'-P-C4' energy: -15.960 flat angles P-C4'-P energy: -7.411 tors. eta vs tors. theta energy: -13.710 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: 9 ===================================== Write number: 129 Temperature: 1.050000 Total energy: -190.961762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.961762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.961762 (E_RNA) where: Base-Base interactions energy: -124.173 where: short stacking energy: -52.107 Base-Backbone interact. energy: -0.204 local terms energy: -66.584394 where: bonds (distance) C4'-P energy: -11.967 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -17.369 flat angles P-C4'-P energy: -7.327 tors. eta vs tors. theta energy: -14.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 129 Temperature: 1.100000 Total energy: -174.582937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.582937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.582937 (E_RNA) where: Base-Base interactions energy: -111.017 where: short stacking energy: -53.910 Base-Backbone interact. energy: -0.367 local terms energy: -63.198959 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -12.400 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -13.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 129 Temperature: 1.150000 Total energy: -173.237925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.237925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.237925 (E_RNA) where: Base-Base interactions energy: -108.392 where: short stacking energy: -49.967 Base-Backbone interact. energy: -0.129 local terms energy: -64.716611 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -8.871 flat angles C4'-P-C4' energy: -15.038 flat angles P-C4'-P energy: -11.322 tors. eta vs tors. theta energy: -17.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 129 Temperature: 1.200000 Total energy: -95.103317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.103317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.103317 (E_RNA) where: Base-Base interactions energy: -40.397 where: short stacking energy: -29.922 Base-Backbone interact. energy: -0.092 local terms energy: -54.614182 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -14.632 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -11.095 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: 2 ===================================== Write number: 129 Temperature: 1.250000 Total energy: -146.689335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -146.689335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -146.689335 (E_RNA) where: Base-Base interactions energy: -93.096 where: short stacking energy: -37.664 Base-Backbone interact. energy: -0.048 local terms energy: -53.545374 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -11.372 flat angles P-C4'-P energy: -8.746 tors. eta vs tors. theta energy: -9.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 129 Temperature: 1.300000 Total energy: -76.391297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.391297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.391297 (E_RNA) where: Base-Base interactions energy: -26.991 where: short stacking energy: -14.816 Base-Backbone interact. energy: -0.234 local terms energy: -49.166395 where: bonds (distance) C4'-P energy: -8.918 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -9.281 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: 5 ===================================== Write number: 129 Temperature: 1.350000 Total energy: -77.375281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.375281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.375281 (E_RNA) where: Base-Base interactions energy: -30.819 where: short stacking energy: -30.819 Base-Backbone interact. energy: -0.060 local terms energy: -46.496275 where: bonds (distance) C4'-P energy: -7.483 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -10.807 flat angles P-C4'-P energy: -6.566 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: 1, replica: 4 ===================================== Write number: 130 Temperature: 0.900000 Total energy: -208.870548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.870548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.870548 (E_RNA) where: Base-Base interactions energy: -136.818 where: short stacking energy: -59.029 Base-Backbone interact. energy: -0.023 local terms energy: -72.029816 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -10.715 tors. eta vs tors. theta energy: -18.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 130 Temperature: 0.950000 Total energy: -190.269838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.269838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.269838 (E_RNA) where: Base-Base interactions energy: -120.783 where: short stacking energy: -57.059 Base-Backbone interact. energy: -0.072 local terms energy: -69.414478 where: bonds (distance) C4'-P energy: -15.206 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -15.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 130 Temperature: 1.000000 Total energy: -197.933277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.933277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.933277 (E_RNA) where: Base-Base interactions energy: -136.721 where: short stacking energy: -56.155 Base-Backbone interact. energy: -0.143 local terms energy: -61.069408 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -11.318 flat angles C4'-P-C4' energy: -14.517 flat angles P-C4'-P energy: -8.632 tors. eta vs tors. theta energy: -14.096 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: 3 ===================================== Write number: 130 Temperature: 1.050000 Total energy: -184.310222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.310222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.310222 (E_RNA) where: Base-Base interactions energy: -119.393 where: short stacking energy: -52.211 Base-Backbone interact. energy: -0.558 local terms energy: -64.359452 where: bonds (distance) C4'-P energy: -12.072 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -13.093 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -16.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 130 Temperature: 1.100000 Total energy: -168.942238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.942238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.942238 (E_RNA) where: Base-Base interactions energy: -107.229 where: short stacking energy: -47.918 Base-Backbone interact. energy: -0.012 local terms energy: -61.701454 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -12.526 flat angles C4'-P-C4' energy: -14.348 flat angles P-C4'-P energy: -8.821 tors. eta vs tors. theta energy: -18.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 130 Temperature: 1.150000 Total energy: -157.061344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.061344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.061344 (E_RNA) where: Base-Base interactions energy: -100.833 where: short stacking energy: -46.848 Base-Backbone interact. energy: -0.323 local terms energy: -55.905351 where: bonds (distance) C4'-P energy: -11.448 bonds (distance) P-C4' energy: -11.448 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -12.115 tors. eta vs tors. theta energy: -8.608 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: 2 ===================================== Write number: 130 Temperature: 1.200000 Total energy: -142.925434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.925434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.925434 (E_RNA) where: Base-Base interactions energy: -89.156 where: short stacking energy: -49.078 Base-Backbone interact. energy: 2.088 local terms energy: -55.856558 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -7.775 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: 8, replica: 7 ===================================== Write number: 130 Temperature: 1.250000 Total energy: -82.018830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.018830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.018830 (E_RNA) where: Base-Base interactions energy: -40.896 where: short stacking energy: -31.676 Base-Backbone interact. energy: -1.245 local terms energy: -39.877423 where: bonds (distance) C4'-P energy: -5.013 bonds (distance) P-C4' energy: -11.878 flat angles C4'-P-C4' energy: -7.417 flat angles P-C4'-P energy: -11.135 tors. eta vs tors. theta energy: -4.435 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: 5 ===================================== Write number: 130 Temperature: 1.300000 Total energy: -82.618054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.618054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.618054 (E_RNA) where: Base-Base interactions energy: -30.145 where: short stacking energy: -30.145 Base-Backbone interact. energy: -0.049 local terms energy: -52.424686 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -11.061 flat angles C4'-P-C4' energy: -12.706 flat angles P-C4'-P energy: -9.565 tors. eta vs tors. theta energy: -6.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 130 Temperature: 1.350000 Total energy: -75.655949 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.655949 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.655949 (E_RNA) where: Base-Base interactions energy: -34.179 where: short stacking energy: -33.170 Base-Backbone interact. energy: -0.257 local terms energy: -41.220433 where: bonds (distance) C4'-P energy: -9.729 bonds (distance) P-C4' energy: -13.049 flat angles C4'-P-C4' energy: -12.343 flat angles P-C4'-P energy: -3.711 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: 4 ===================================== Write number: 131 Temperature: 0.900000 Total energy: -210.882940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.882940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.882940 (E_RNA) where: Base-Base interactions energy: -134.463 where: short stacking energy: -61.119 Base-Backbone interact. energy: -0.094 local terms energy: -76.326366 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -16.548 flat angles C4'-P-C4' energy: -14.011 flat angles P-C4'-P energy: -11.274 tors. eta vs tors. theta energy: -19.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 131 Temperature: 0.950000 Total energy: -207.746798 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.746798 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.746798 (E_RNA) where: Base-Base interactions energy: -138.378 where: short stacking energy: -67.584 Base-Backbone interact. energy: -0.003 local terms energy: -69.365566 where: bonds (distance) C4'-P energy: -13.190 bonds (distance) P-C4' energy: -17.620 flat angles C4'-P-C4' energy: -14.990 flat angles P-C4'-P energy: -5.638 tors. eta vs tors. theta energy: -17.928 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 131 Temperature: 1.000000 Total energy: -185.052858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.052858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.052858 (E_RNA) where: Base-Base interactions energy: -118.655 where: short stacking energy: -60.164 Base-Backbone interact. energy: -0.293 local terms energy: -66.104954 where: bonds (distance) C4'-P energy: -15.086 bonds (distance) P-C4' energy: -13.424 flat angles C4'-P-C4' energy: -12.395 flat angles P-C4'-P energy: -8.707 tors. eta vs tors. theta energy: -16.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 131 Temperature: 1.050000 Total energy: -184.976251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.976251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.976251 (E_RNA) where: Base-Base interactions energy: -121.399 where: short stacking energy: -56.073 Base-Backbone interact. energy: -0.000 local terms energy: -63.577241 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -13.674 flat angles C4'-P-C4' energy: -13.760 flat angles P-C4'-P energy: -8.390 tors. eta vs tors. theta energy: -16.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 131 Temperature: 1.100000 Total energy: -162.829617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.829617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.829617 (E_RNA) where: Base-Base interactions energy: -110.733 where: short stacking energy: -49.818 Base-Backbone interact. energy: -0.105 local terms energy: -51.992179 where: bonds (distance) C4'-P energy: -8.010 bonds (distance) P-C4' energy: -13.858 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -6.898 tors. eta vs tors. theta energy: -8.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 131 Temperature: 1.150000 Total energy: -155.470968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.470968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.470968 (E_RNA) where: Base-Base interactions energy: -99.920 where: short stacking energy: -50.496 Base-Backbone interact. energy: -0.079 local terms energy: -55.472040 where: bonds (distance) C4'-P energy: -15.525 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -14.913 flat angles P-C4'-P energy: -1.924 tors. eta vs tors. theta energy: -10.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 131 Temperature: 1.200000 Total energy: -125.255594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.255594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.255594 (E_RNA) where: Base-Base interactions energy: -70.312 where: short stacking energy: -44.543 Base-Backbone interact. energy: -0.192 local terms energy: -54.752172 where: bonds (distance) C4'-P energy: -14.152 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -10.134 flat angles P-C4'-P energy: -7.185 tors. eta vs tors. theta energy: -10.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 131 Temperature: 1.250000 Total energy: -83.025073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.025073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.025073 (E_RNA) where: Base-Base interactions energy: -41.322 where: short stacking energy: -38.046 Base-Backbone interact. energy: -0.376 local terms energy: -41.327414 where: bonds (distance) C4'-P energy: -8.414 bonds (distance) P-C4' energy: -12.166 flat angles C4'-P-C4' energy: -10.990 flat angles P-C4'-P energy: -7.236 tors. eta vs tors. theta energy: -2.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 131 Temperature: 1.300000 Total energy: -78.240644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.240644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.240644 (E_RNA) where: Base-Base interactions energy: -32.491 where: short stacking energy: -27.802 Base-Backbone interact. energy: -0.224 local terms energy: -45.525625 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -11.582 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: -2.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 131 Temperature: 1.350000 Total energy: -79.033083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.033083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.033083 (E_RNA) where: Base-Base interactions energy: -34.643 where: short stacking energy: -18.765 Base-Backbone interact. energy: -0.262 local terms energy: -44.128348 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -13.856 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -8.030 tors. eta vs tors. theta energy: 2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 132 Temperature: 0.900000 Total energy: -210.086692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.086692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.086692 (E_RNA) where: Base-Base interactions energy: -143.452 where: short stacking energy: -66.739 Base-Backbone interact. energy: -0.062 local terms energy: -66.572807 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -13.734 flat angles C4'-P-C4' energy: -13.089 flat angles P-C4'-P energy: -9.059 tors. eta vs tors. theta energy: -18.323 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: 4 ===================================== Write number: 132 Temperature: 0.950000 Total energy: -203.752072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.752072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.752072 (E_RNA) where: Base-Base interactions energy: -128.501 where: short stacking energy: -56.869 Base-Backbone interact. energy: -0.042 local terms energy: -75.209308 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -17.279 flat angles P-C4'-P energy: -11.494 tors. eta vs tors. theta energy: -18.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 132 Temperature: 1.000000 Total energy: -196.403746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.403746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.403746 (E_RNA) where: Base-Base interactions energy: -121.756 where: short stacking energy: -61.579 Base-Backbone interact. energy: -0.000 local terms energy: -74.647663 where: bonds (distance) C4'-P energy: -14.655 bonds (distance) P-C4' energy: -14.614 flat angles C4'-P-C4' energy: -14.804 flat angles P-C4'-P energy: -11.389 tors. eta vs tors. theta energy: -19.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 132 Temperature: 1.050000 Total energy: -178.529369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.529369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.529369 (E_RNA) where: Base-Base interactions energy: -114.667 where: short stacking energy: -52.016 Base-Backbone interact. energy: -0.136 local terms energy: -63.726357 where: bonds (distance) C4'-P energy: -11.920 bonds (distance) P-C4' energy: -16.865 flat angles C4'-P-C4' energy: -12.824 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -12.829 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: 132 Temperature: 1.100000 Total energy: -166.706121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.706121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.706121 (E_RNA) where: Base-Base interactions energy: -106.860 where: short stacking energy: -50.683 Base-Backbone interact. energy: -0.158 local terms energy: -59.687607 where: bonds (distance) C4'-P energy: -14.221 bonds (distance) P-C4' energy: -8.684 flat angles C4'-P-C4' energy: -13.096 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -15.419 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: 132 Temperature: 1.150000 Total energy: -166.354137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.354137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.354137 (E_RNA) where: Base-Base interactions energy: -111.234 where: short stacking energy: -47.947 Base-Backbone interact. energy: -0.023 local terms energy: -55.096481 where: bonds (distance) C4'-P energy: -12.607 bonds (distance) P-C4' energy: -11.197 flat angles C4'-P-C4' energy: -11.426 flat angles P-C4'-P energy: -10.284 tors. eta vs tors. theta energy: -9.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 132 Temperature: 1.200000 Total energy: -83.489610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.489610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.489610 (E_RNA) where: Base-Base interactions energy: -32.810 where: short stacking energy: -32.810 Base-Backbone interact. energy: -0.003 local terms energy: -50.676635 where: bonds (distance) C4'-P energy: -9.925 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -11.652 flat angles P-C4'-P energy: -9.902 tors. eta vs tors. theta energy: -5.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 132 Temperature: 1.250000 Total energy: -117.426899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.426899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.426899 (E_RNA) where: Base-Base interactions energy: -71.055 where: short stacking energy: -35.490 Base-Backbone interact. energy: 2.735 local terms energy: -49.105971 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -9.647 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -8.449 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: 9, replica: 8 ===================================== Write number: 132 Temperature: 1.300000 Total energy: -82.379902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.379902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.379902 (E_RNA) where: Base-Base interactions energy: -34.498 where: short stacking energy: -27.257 Base-Backbone interact. energy: -0.102 local terms energy: -47.779920 where: bonds (distance) C4'-P energy: -7.613 bonds (distance) P-C4' energy: -15.288 flat angles C4'-P-C4' energy: -10.246 flat angles P-C4'-P energy: -8.030 tors. eta vs tors. theta energy: -6.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 132 Temperature: 1.350000 Total energy: -65.803584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.803584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.803584 (E_RNA) where: Base-Base interactions energy: -20.583 where: short stacking energy: -20.583 Base-Backbone interact. energy: -0.021 local terms energy: -45.200511 where: bonds (distance) C4'-P energy: -14.055 bonds (distance) P-C4' energy: -12.357 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -6.054 tors. eta vs tors. theta energy: 0.470 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 133 Temperature: 0.900000 Total energy: -214.655532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.655532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.655532 (E_RNA) where: Base-Base interactions energy: -141.315 where: short stacking energy: -70.598 Base-Backbone interact. energy: -0.050 local terms energy: -73.290232 where: bonds (distance) C4'-P energy: -13.473 bonds (distance) P-C4' energy: -14.525 flat angles C4'-P-C4' energy: -15.018 flat angles P-C4'-P energy: -11.783 tors. eta vs tors. theta energy: -18.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 133 Temperature: 0.950000 Total energy: -200.524318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.524318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.524318 (E_RNA) where: Base-Base interactions energy: -131.135 where: short stacking energy: -64.607 Base-Backbone interact. energy: -0.002 local terms energy: -69.387386 where: bonds (distance) C4'-P energy: -13.456 bonds (distance) P-C4' energy: -14.668 flat angles C4'-P-C4' energy: -16.702 flat angles P-C4'-P energy: -6.285 tors. eta vs tors. theta energy: -18.277 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 133 Temperature: 1.000000 Total energy: -190.926439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.926439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.926439 (E_RNA) where: Base-Base interactions energy: -120.433 where: short stacking energy: -52.384 Base-Backbone interact. energy: -0.073 local terms energy: -70.420828 where: bonds (distance) C4'-P energy: -16.130 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -13.363 flat angles P-C4'-P energy: -6.943 tors. eta vs tors. theta energy: -20.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 133 Temperature: 1.050000 Total energy: -173.484158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.484158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.484158 (E_RNA) where: Base-Base interactions energy: -114.904 where: short stacking energy: -49.325 Base-Backbone interact. energy: -0.434 local terms energy: -58.145363 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -12.496 flat angles C4'-P-C4' energy: -12.068 flat angles P-C4'-P energy: -7.486 tors. eta vs tors. theta energy: -11.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 133 Temperature: 1.100000 Total energy: -167.527098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.527098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.527098 (E_RNA) where: Base-Base interactions energy: -107.000 where: short stacking energy: -44.377 Base-Backbone interact. energy: -0.021 local terms energy: -60.506310 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -10.672 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -10.779 tors. eta vs tors. theta energy: -12.652 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: 1 ===================================== Write number: 133 Temperature: 1.150000 Total energy: -158.570353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.570353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.570353 (E_RNA) where: Base-Base interactions energy: -105.715 where: short stacking energy: -48.834 Base-Backbone interact. energy: -0.256 local terms energy: -52.600050 where: bonds (distance) C4'-P energy: -6.561 bonds (distance) P-C4' energy: -12.608 flat angles C4'-P-C4' energy: -12.088 flat angles P-C4'-P energy: -10.905 tors. eta vs tors. theta energy: -10.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 133 Temperature: 1.200000 Total energy: -83.198917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.198917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.198917 (E_RNA) where: Base-Base interactions energy: -36.351 where: short stacking energy: -35.528 Base-Backbone interact. energy: 0.413 local terms energy: -47.261277 where: bonds (distance) C4'-P energy: -10.356 bonds (distance) P-C4' energy: -5.214 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: -8.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 133 Temperature: 1.250000 Total energy: -76.967199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.967199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.967199 (E_RNA) where: Base-Base interactions energy: -33.730 where: short stacking energy: -20.094 Base-Backbone interact. energy: -0.194 local terms energy: -43.042741 where: bonds (distance) C4'-P energy: -11.431 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -8.173 flat angles P-C4'-P energy: -5.135 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: 9, replica: 2 ===================================== Write number: 133 Temperature: 1.300000 Total energy: -88.593959 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.593959 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.593959 (E_RNA) where: Base-Base interactions energy: -41.652 where: short stacking energy: -39.197 Base-Backbone interact. energy: -0.123 local terms energy: -46.818638 where: bonds (distance) C4'-P energy: -7.712 bonds (distance) P-C4' energy: -11.645 flat angles C4'-P-C4' energy: -9.978 flat angles P-C4'-P energy: -6.699 tors. eta vs tors. theta energy: -10.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 133 Temperature: 1.350000 Total energy: -73.305527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.305527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.305527 (E_RNA) where: Base-Base interactions energy: -26.106 where: short stacking energy: -25.721 Base-Backbone interact. energy: -0.041 local terms energy: -47.158917 where: bonds (distance) C4'-P energy: -13.641 bonds (distance) P-C4' energy: -13.798 flat angles C4'-P-C4' energy: -9.932 flat angles P-C4'-P energy: -4.664 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: 1, replica: 9 ===================================== Write number: 134 Temperature: 0.900000 Total energy: -208.355642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.355642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.355642 (E_RNA) where: Base-Base interactions energy: -134.547 where: short stacking energy: -64.007 Base-Backbone interact. energy: -0.042 local terms energy: -73.767186 where: bonds (distance) C4'-P energy: -16.167 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -15.271 flat angles P-C4'-P energy: -8.044 tors. eta vs tors. theta energy: -20.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 134 Temperature: 0.950000 Total energy: -208.006406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.006406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.006406 (E_RNA) where: Base-Base interactions energy: -136.303 where: short stacking energy: -68.841 Base-Backbone interact. energy: -0.212 local terms energy: -71.491394 where: bonds (distance) C4'-P energy: -11.675 bonds (distance) P-C4' energy: -16.232 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -11.328 tors. eta vs tors. theta energy: -20.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 134 Temperature: 1.000000 Total energy: -169.136037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.136037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.136037 (E_RNA) where: Base-Base interactions energy: -108.563 where: short stacking energy: -54.771 Base-Backbone interact. energy: -0.034 local terms energy: -60.539118 where: bonds (distance) C4'-P energy: -14.313 bonds (distance) P-C4' energy: -13.956 flat angles C4'-P-C4' energy: -14.248 flat angles P-C4'-P energy: -3.194 tors. eta vs tors. theta energy: -14.828 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: 6 ===================================== Write number: 134 Temperature: 1.050000 Total energy: -185.802151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.802151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.802151 (E_RNA) where: Base-Base interactions energy: -123.909 where: short stacking energy: -60.311 Base-Backbone interact. energy: -0.006 local terms energy: -61.887316 where: bonds (distance) C4'-P energy: -8.388 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -12.693 flat angles P-C4'-P energy: -9.704 tors. eta vs tors. theta energy: -17.797 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: 1 ===================================== Write number: 134 Temperature: 1.100000 Total energy: -170.629982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.629982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.629982 (E_RNA) where: Base-Base interactions energy: -112.115 where: short stacking energy: -51.008 Base-Backbone interact. energy: 0.043 local terms energy: -58.558020 where: bonds (distance) C4'-P energy: -11.030 bonds (distance) P-C4' energy: -15.319 flat angles C4'-P-C4' energy: -16.254 flat angles P-C4'-P energy: -3.934 tors. eta vs tors. theta energy: -12.021 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: 10 ===================================== Write number: 134 Temperature: 1.150000 Total energy: -174.883172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.883172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.883172 (E_RNA) where: Base-Base interactions energy: -117.375 where: short stacking energy: -44.907 Base-Backbone interact. energy: -0.002 local terms energy: -57.506305 where: bonds (distance) C4'-P energy: -15.152 bonds (distance) P-C4' energy: -11.279 flat angles C4'-P-C4' energy: -11.773 flat angles P-C4'-P energy: -7.821 tors. eta vs tors. theta energy: -11.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 134 Temperature: 1.200000 Total energy: -88.557981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.557981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.557981 (E_RNA) where: Base-Base interactions energy: -36.215 where: short stacking energy: -26.218 Base-Backbone interact. energy: 0.297 local terms energy: -52.639551 where: bonds (distance) C4'-P energy: -15.198 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -14.905 flat angles P-C4'-P energy: -6.137 tors. eta vs tors. theta energy: -4.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 134 Temperature: 1.250000 Total energy: -90.926660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.926660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.926660 (E_RNA) where: Base-Base interactions energy: -43.855 where: short stacking energy: -27.883 Base-Backbone interact. energy: -0.139 local terms energy: -46.932321 where: bonds (distance) C4'-P energy: -8.851 bonds (distance) P-C4' energy: -12.991 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -10.959 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: 9, replica: 7 ===================================== Write number: 134 Temperature: 1.300000 Total energy: -102.276270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.276270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.276270 (E_RNA) where: Base-Base interactions energy: -42.628 where: short stacking energy: -36.681 Base-Backbone interact. energy: -0.031 local terms energy: -59.618054 where: bonds (distance) C4'-P energy: -10.022 bonds (distance) P-C4' energy: -15.652 flat angles C4'-P-C4' energy: -13.465 flat angles P-C4'-P energy: -7.970 tors. eta vs tors. theta energy: -12.507 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: 2 ===================================== Write number: 134 Temperature: 1.350000 Total energy: -73.582049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.582049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.582049 (E_RNA) where: Base-Base interactions energy: -23.555 where: short stacking energy: -23.555 Base-Backbone interact. energy: -0.140 local terms energy: -49.887304 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -11.608 flat angles C4'-P-C4' energy: -10.942 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -3.294 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: 9 ===================================== Write number: 135 Temperature: 0.900000 Total energy: -205.042020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.042020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.042020 (E_RNA) where: Base-Base interactions energy: -138.796 where: short stacking energy: -59.727 Base-Backbone interact. energy: -0.002 local terms energy: -66.243795 where: bonds (distance) C4'-P energy: -12.615 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -7.608 tors. eta vs tors. theta energy: -16.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 135 Temperature: 0.950000 Total energy: -188.857178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.857178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.857178 (E_RNA) where: Base-Base interactions energy: -131.608 where: short stacking energy: -62.745 Base-Backbone interact. energy: -0.022 local terms energy: -57.226552 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -11.049 flat angles C4'-P-C4' energy: -13.006 flat angles P-C4'-P energy: -10.773 tors. eta vs tors. theta energy: -12.222 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 135 Temperature: 1.000000 Total energy: -193.625088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.625088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.625088 (E_RNA) where: Base-Base interactions energy: -122.748 where: short stacking energy: -61.443 Base-Backbone interact. energy: -0.002 local terms energy: -70.875680 where: bonds (distance) C4'-P energy: -10.644 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -11.125 tors. eta vs tors. theta energy: -17.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 135 Temperature: 1.050000 Total energy: -181.767841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.767841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.767841 (E_RNA) where: Base-Base interactions energy: -118.338 where: short stacking energy: -58.137 Base-Backbone interact. energy: -0.006 local terms energy: -63.424503 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -12.893 flat angles C4'-P-C4' energy: -11.385 flat angles P-C4'-P energy: -11.293 tors. eta vs tors. theta energy: -16.416 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: 6 ===================================== Write number: 135 Temperature: 1.100000 Total energy: -180.216677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.216677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.216677 (E_RNA) where: Base-Base interactions energy: -118.556 where: short stacking energy: -56.723 Base-Backbone interact. energy: -0.019 local terms energy: -61.641755 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -6.436 tors. eta vs tors. theta energy: -16.658 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 135 Temperature: 1.150000 Total energy: -167.202306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.202306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.202306 (E_RNA) where: Base-Base interactions energy: -105.964 where: short stacking energy: -50.697 Base-Backbone interact. energy: -0.100 local terms energy: -61.138438 where: bonds (distance) C4'-P energy: -14.428 bonds (distance) P-C4' energy: -14.678 flat angles C4'-P-C4' energy: -13.826 flat angles P-C4'-P energy: -5.399 tors. eta vs tors. theta energy: -12.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 135 Temperature: 1.200000 Total energy: -96.968137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.968137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.968137 (E_RNA) where: Base-Base interactions energy: -49.349 where: short stacking energy: -25.221 Base-Backbone interact. energy: -0.141 local terms energy: -47.478579 where: bonds (distance) C4'-P energy: -13.381 bonds (distance) P-C4' energy: -14.883 flat angles C4'-P-C4' energy: -10.410 flat angles P-C4'-P energy: -4.900 tors. eta vs tors. theta energy: -3.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 135 Temperature: 1.250000 Total energy: -72.733592 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.733592 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.733592 (E_RNA) where: Base-Base interactions energy: -21.617 where: short stacking energy: -21.617 Base-Backbone interact. energy: -0.177 local terms energy: -50.939814 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -12.862 flat angles P-C4'-P energy: -11.532 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: 5 ===================================== Write number: 135 Temperature: 1.300000 Total energy: -75.171761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.171761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.171761 (E_RNA) where: Base-Base interactions energy: -28.997 where: short stacking energy: -19.980 Base-Backbone interact. energy: -0.058 local terms energy: -46.116748 where: bonds (distance) C4'-P energy: -15.128 bonds (distance) P-C4' energy: -11.770 flat angles C4'-P-C4' energy: -8.858 flat angles P-C4'-P energy: -9.038 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: 10, replica: 2 ===================================== Write number: 135 Temperature: 1.350000 Total energy: -74.228879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.228879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.228879 (E_RNA) where: Base-Base interactions energy: -23.016 where: short stacking energy: -19.883 Base-Backbone interact. energy: -0.192 local terms energy: -51.021407 where: bonds (distance) C4'-P energy: -15.251 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -12.900 flat angles P-C4'-P energy: -7.562 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: 1, replica: 9 ===================================== Write number: 136 Temperature: 0.900000 Total energy: -209.357029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.357029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.357029 (E_RNA) where: Base-Base interactions energy: -143.918 where: short stacking energy: -65.225 Base-Backbone interact. energy: -0.214 local terms energy: -65.225614 where: bonds (distance) C4'-P energy: -11.055 bonds (distance) P-C4' energy: -12.074 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -10.848 tors. eta vs tors. theta energy: -17.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 136 Temperature: 0.950000 Total energy: -201.160893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.160893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.160893 (E_RNA) where: Base-Base interactions energy: -133.905 where: short stacking energy: -56.410 Base-Backbone interact. energy: -0.017 local terms energy: -67.238822 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -14.124 flat angles C4'-P-C4' energy: -13.614 flat angles P-C4'-P energy: -10.491 tors. eta vs tors. theta energy: -15.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 136 Temperature: 1.000000 Total energy: -185.426172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.426172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.426172 (E_RNA) where: Base-Base interactions energy: -119.360 where: short stacking energy: -58.070 Base-Backbone interact. energy: -0.066 local terms energy: -66.000587 where: bonds (distance) C4'-P energy: -10.813 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -15.827 flat angles P-C4'-P energy: -8.558 tors. eta vs tors. theta energy: -17.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 136 Temperature: 1.050000 Total energy: -172.870989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.870989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.870989 (E_RNA) where: Base-Base interactions energy: -109.257 where: short stacking energy: -55.451 Base-Backbone interact. energy: 0.882 local terms energy: -64.495138 where: bonds (distance) C4'-P energy: -12.465 bonds (distance) P-C4' energy: -12.444 flat angles C4'-P-C4' energy: -16.545 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -14.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 136 Temperature: 1.100000 Total energy: -171.404623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.404623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.404623 (E_RNA) where: Base-Base interactions energy: -108.248 where: short stacking energy: -40.601 Base-Backbone interact. energy: -0.456 local terms energy: -62.700277 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -12.282 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -12.742 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: 6, replica: 10 ===================================== Write number: 136 Temperature: 1.150000 Total energy: -177.354966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.354966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.354966 (E_RNA) where: Base-Base interactions energy: -119.912 where: short stacking energy: -59.702 Base-Backbone interact. energy: -0.001 local terms energy: -57.442432 where: bonds (distance) C4'-P energy: -8.718 bonds (distance) P-C4' energy: -11.643 flat angles C4'-P-C4' energy: -9.227 flat angles P-C4'-P energy: -9.182 tors. eta vs tors. theta energy: -18.673 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 136 Temperature: 1.200000 Total energy: -87.307688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.307688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.307688 (E_RNA) where: Base-Base interactions energy: -36.496 where: short stacking energy: -31.196 Base-Backbone interact. energy: -0.118 local terms energy: -50.693502 where: bonds (distance) C4'-P energy: -12.401 bonds (distance) P-C4' energy: -11.333 flat angles C4'-P-C4' energy: -14.086 flat angles P-C4'-P energy: -9.466 tors. eta vs tors. theta energy: -3.407 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 136 Temperature: 1.250000 Total energy: -85.959899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.959899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.959899 (E_RNA) where: Base-Base interactions energy: -38.666 where: short stacking energy: -27.406 Base-Backbone interact. energy: 0.640 local terms energy: -47.934234 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -10.909 flat angles C4'-P-C4' energy: -10.450 flat angles P-C4'-P energy: -4.853 tors. eta vs tors. theta energy: -6.773 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 136 Temperature: 1.300000 Total energy: -68.880825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.880825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.880825 (E_RNA) where: Base-Base interactions energy: -21.267 where: short stacking energy: -21.267 Base-Backbone interact. energy: -0.309 local terms energy: -47.304683 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -14.015 flat angles C4'-P-C4' energy: -13.491 flat angles P-C4'-P energy: -8.442 tors. eta vs tors. theta energy: 1.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 136 Temperature: 1.350000 Total energy: -68.773786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.773786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.773786 (E_RNA) where: Base-Base interactions energy: -26.422 where: short stacking energy: -24.216 Base-Backbone interact. energy: -0.469 local terms energy: -41.882973 where: bonds (distance) C4'-P energy: -10.328 bonds (distance) P-C4' energy: -13.228 flat angles C4'-P-C4' energy: -11.079 flat angles P-C4'-P energy: -7.248 tors. eta vs tors. theta energy: -0.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 137 Temperature: 0.900000 Total energy: -207.476669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.476669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.476669 (E_RNA) where: Base-Base interactions energy: -138.823 where: short stacking energy: -68.696 Base-Backbone interact. energy: -0.012 local terms energy: -68.641683 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -7.428 tors. eta vs tors. theta energy: -19.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 137 Temperature: 0.950000 Total energy: -203.384421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.384421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.384421 (E_RNA) where: Base-Base interactions energy: -130.946 where: short stacking energy: -66.117 Base-Backbone interact. energy: -0.058 local terms energy: -72.379507 where: bonds (distance) C4'-P energy: -15.475 bonds (distance) P-C4' energy: -12.059 flat angles C4'-P-C4' energy: -16.552 flat angles P-C4'-P energy: -10.251 tors. eta vs tors. theta energy: -18.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 137 Temperature: 1.000000 Total energy: -191.425229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.425229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.425229 (E_RNA) where: Base-Base interactions energy: -123.709 where: short stacking energy: -62.936 Base-Backbone interact. energy: -0.006 local terms energy: -67.710576 where: bonds (distance) C4'-P energy: -12.853 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -15.935 flat angles P-C4'-P energy: -8.595 tors. eta vs tors. theta energy: -15.664 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: 6 ===================================== Write number: 137 Temperature: 1.050000 Total energy: -181.480234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.480234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.480234 (E_RNA) where: Base-Base interactions energy: -120.461 where: short stacking energy: -51.206 Base-Backbone interact. energy: -0.097 local terms energy: -60.922530 where: bonds (distance) C4'-P energy: -10.699 bonds (distance) P-C4' energy: -15.122 flat angles C4'-P-C4' energy: -12.893 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -14.855 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: 137 Temperature: 1.100000 Total energy: -166.053944 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.053944 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.053944 (E_RNA) where: Base-Base interactions energy: -108.535 where: short stacking energy: -54.380 Base-Backbone interact. energy: -0.121 local terms energy: -57.398526 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -12.381 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -9.278 tors. eta vs tors. theta energy: -13.255 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: 137 Temperature: 1.150000 Total energy: -174.722186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.722186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.722186 (E_RNA) where: Base-Base interactions energy: -107.212 where: short stacking energy: -41.661 Base-Backbone interact. energy: -0.745 local terms energy: -66.765506 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -16.572 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -11.680 tors. eta vs tors. theta energy: -13.283 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: 7 ===================================== Write number: 137 Temperature: 1.200000 Total energy: -87.185496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.185496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.185496 (E_RNA) where: Base-Base interactions energy: -33.242 where: short stacking energy: -33.242 Base-Backbone interact. energy: -0.607 local terms energy: -53.336855 where: bonds (distance) C4'-P energy: -9.410 bonds (distance) P-C4' energy: -11.813 flat angles C4'-P-C4' energy: -11.365 flat angles P-C4'-P energy: -10.966 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: 8, replica: 5 ===================================== Write number: 137 Temperature: 1.250000 Total energy: -89.376014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.376014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.376014 (E_RNA) where: Base-Base interactions energy: -39.553 where: short stacking energy: -35.648 Base-Backbone interact. energy: -0.115 local terms energy: -49.707810 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -12.495 flat angles C4'-P-C4' energy: -10.695 flat angles P-C4'-P energy: -4.051 tors. eta vs tors. theta energy: -9.310 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: 137 Temperature: 1.300000 Total energy: -75.063943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.063943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.063943 (E_RNA) where: Base-Base interactions energy: -28.121 where: short stacking energy: -27.744 Base-Backbone interact. energy: 0.778 local terms energy: -47.720702 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -12.854 flat angles C4'-P-C4' energy: -10.729 flat angles P-C4'-P energy: -6.037 tors. eta vs tors. theta energy: -4.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 137 Temperature: 1.350000 Total energy: -71.171419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.171419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.171419 (E_RNA) where: Base-Base interactions energy: -22.265 where: short stacking energy: -22.265 Base-Backbone interact. energy: -0.887 local terms energy: -48.019070 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -5.751 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: 4 ===================================== Write number: 138 Temperature: 0.900000 Total energy: -208.284430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.284430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.284430 (E_RNA) where: Base-Base interactions energy: -140.852 where: short stacking energy: -70.976 Base-Backbone interact. energy: -0.004 local terms energy: -67.428814 where: bonds (distance) C4'-P energy: -11.895 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -13.211 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -20.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 138 Temperature: 0.950000 Total energy: -200.076246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.076246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.076246 (E_RNA) where: Base-Base interactions energy: -130.792 where: short stacking energy: -62.500 Base-Backbone interact. energy: -0.005 local terms energy: -69.278902 where: bonds (distance) C4'-P energy: -10.831 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -15.495 flat angles P-C4'-P energy: -10.221 tors. eta vs tors. theta energy: -18.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 138 Temperature: 1.000000 Total energy: -183.544645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.544645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.544645 (E_RNA) where: Base-Base interactions energy: -123.651 where: short stacking energy: -53.939 Base-Backbone interact. energy: -0.050 local terms energy: -59.843286 where: bonds (distance) C4'-P energy: -8.827 bonds (distance) P-C4' energy: -14.791 flat angles C4'-P-C4' energy: -11.868 flat angles P-C4'-P energy: -11.045 tors. eta vs tors. theta energy: -13.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 138 Temperature: 1.050000 Total energy: -181.585270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.585270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.585270 (E_RNA) where: Base-Base interactions energy: -115.337 where: short stacking energy: -56.117 Base-Backbone interact. energy: -0.004 local terms energy: -66.243855 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -14.818 flat angles C4'-P-C4' energy: -13.787 flat angles P-C4'-P energy: -9.291 tors. eta vs tors. theta energy: -16.229 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: 5, replica: 10 ===================================== Write number: 138 Temperature: 1.100000 Total energy: -176.045987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.045987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.045987 (E_RNA) where: Base-Base interactions energy: -109.646 where: short stacking energy: -51.126 Base-Backbone interact. energy: -0.044 local terms energy: -66.355715 where: bonds (distance) C4'-P energy: -13.734 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -9.722 tors. eta vs tors. theta energy: -14.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 138 Temperature: 1.150000 Total energy: -158.672809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.672809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.672809 (E_RNA) where: Base-Base interactions energy: -100.194 where: short stacking energy: -49.816 Base-Backbone interact. energy: -0.415 local terms energy: -58.063729 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -13.208 flat angles C4'-P-C4' energy: -11.901 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -9.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 138 Temperature: 1.200000 Total energy: -88.015211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.015211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.015211 (E_RNA) where: Base-Base interactions energy: -37.385 where: short stacking energy: -28.597 Base-Backbone interact. energy: 1.646 local terms energy: -52.276643 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -11.402 flat angles P-C4'-P energy: -11.323 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: 8, replica: 7 ===================================== Write number: 138 Temperature: 1.250000 Total energy: -95.185490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.185490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.185490 (E_RNA) where: Base-Base interactions energy: -52.536 where: short stacking energy: -21.758 Base-Backbone interact. energy: -0.723 local terms energy: -41.926251 where: bonds (distance) C4'-P energy: -13.821 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -7.816 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: 1.169 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: 2 ===================================== Write number: 138 Temperature: 1.300000 Total energy: -81.080375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.080375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.080375 (E_RNA) where: Base-Base interactions energy: -37.918 where: short stacking energy: -29.346 Base-Backbone interact. energy: 3.051 local terms energy: -46.213241 where: bonds (distance) C4'-P energy: -13.455 bonds (distance) P-C4' energy: -12.402 flat angles C4'-P-C4' energy: -12.305 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -0.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 138 Temperature: 1.350000 Total energy: -67.078553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.078553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.078553 (E_RNA) where: Base-Base interactions energy: -20.073 where: short stacking energy: -20.073 Base-Backbone interact. energy: -0.338 local terms energy: -46.666687 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -8.492 flat angles C4'-P-C4' energy: -13.120 flat angles P-C4'-P energy: -7.978 tors. eta vs tors. theta energy: -2.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 139 Temperature: 0.900000 Total energy: -206.441498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.441498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.441498 (E_RNA) where: Base-Base interactions energy: -139.198 where: short stacking energy: -61.894 Base-Backbone interact. energy: -0.143 local terms energy: -67.100175 where: bonds (distance) C4'-P energy: -12.162 bonds (distance) P-C4' energy: -16.064 flat angles C4'-P-C4' energy: -12.130 flat angles P-C4'-P energy: -10.204 tors. eta vs tors. theta energy: -16.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 139 Temperature: 0.950000 Total energy: -207.151219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.151219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.151219 (E_RNA) where: Base-Base interactions energy: -139.388 where: short stacking energy: -60.555 Base-Backbone interact. energy: -0.449 local terms energy: -67.314356 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -12.942 flat angles C4'-P-C4' energy: -11.571 flat angles P-C4'-P energy: -9.973 tors. eta vs tors. theta energy: -18.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 139 Temperature: 1.000000 Total energy: -191.484985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.484985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.484985 (E_RNA) where: Base-Base interactions energy: -129.288 where: short stacking energy: -62.733 Base-Backbone interact. energy: -0.003 local terms energy: -62.193905 where: bonds (distance) C4'-P energy: -8.206 bonds (distance) P-C4' energy: -14.554 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -10.790 tors. eta vs tors. theta energy: -15.180 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: 6 ===================================== Write number: 139 Temperature: 1.050000 Total energy: -175.801812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.801812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.801812 (E_RNA) where: Base-Base interactions energy: -107.524 where: short stacking energy: -47.449 Base-Backbone interact. energy: -0.000 local terms energy: -68.277191 where: bonds (distance) C4'-P energy: -14.341 bonds (distance) P-C4' energy: -16.664 flat angles C4'-P-C4' energy: -14.657 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -13.394 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 139 Temperature: 1.100000 Total energy: -166.809238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.809238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.809238 (E_RNA) where: Base-Base interactions energy: -107.168 where: short stacking energy: -42.004 Base-Backbone interact. energy: 0.093 local terms energy: -59.734985 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -14.877 flat angles P-C4'-P energy: -9.656 tors. eta vs tors. theta energy: -8.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 139 Temperature: 1.150000 Total energy: -163.340203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.340203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.340203 (E_RNA) where: Base-Base interactions energy: -103.567 where: short stacking energy: -55.457 Base-Backbone interact. energy: -0.021 local terms energy: -59.751968 where: bonds (distance) C4'-P energy: -10.430 bonds (distance) P-C4' energy: -12.035 flat angles C4'-P-C4' energy: -15.275 flat angles P-C4'-P energy: -6.591 tors. eta vs tors. theta energy: -15.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 139 Temperature: 1.200000 Total energy: -90.110264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.110264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.110264 (E_RNA) where: Base-Base interactions energy: -34.390 where: short stacking energy: -27.129 Base-Backbone interact. energy: 0.260 local terms energy: -55.980350 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -12.460 tors. eta vs tors. theta energy: -2.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 139 Temperature: 1.250000 Total energy: -76.355690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.355690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.355690 (E_RNA) where: Base-Base interactions energy: -27.111 where: short stacking energy: -27.111 Base-Backbone interact. energy: -0.067 local terms energy: -49.177526 where: bonds (distance) C4'-P energy: -8.915 bonds (distance) P-C4' energy: -13.253 flat angles C4'-P-C4' energy: -13.059 flat angles P-C4'-P energy: -8.282 tors. eta vs tors. theta energy: -5.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 139 Temperature: 1.300000 Total energy: -135.929168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.929168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.929168 (E_RNA) where: Base-Base interactions energy: -89.200 where: short stacking energy: -36.427 Base-Backbone interact. energy: 0.605 local terms energy: -47.335118 where: bonds (distance) C4'-P energy: -13.427 bonds (distance) P-C4' energy: -12.923 flat angles C4'-P-C4' energy: -4.974 flat angles P-C4'-P energy: -4.556 tors. eta vs tors. theta energy: -11.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 139 Temperature: 1.350000 Total energy: -70.979427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.979427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.979427 (E_RNA) where: Base-Base interactions energy: -31.663 where: short stacking energy: -18.599 Base-Backbone interact. energy: -0.108 local terms energy: -39.208281 where: bonds (distance) C4'-P energy: -11.832 bonds (distance) P-C4' energy: -7.403 flat angles C4'-P-C4' energy: -14.894 flat angles P-C4'-P energy: -6.801 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: 4 ===================================== Write number: 140 Temperature: 0.900000 Total energy: -213.940262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.940262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.940262 (E_RNA) where: Base-Base interactions energy: -140.933 where: short stacking energy: -63.186 Base-Backbone interact. energy: -0.037 local terms energy: -72.970779 where: bonds (distance) C4'-P energy: -11.932 bonds (distance) P-C4' energy: -16.898 flat angles C4'-P-C4' energy: -16.605 flat angles P-C4'-P energy: -8.221 tors. eta vs tors. theta energy: -19.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 140 Temperature: 0.950000 Total energy: -196.841782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.841782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.841782 (E_RNA) where: Base-Base interactions energy: -134.183 where: short stacking energy: -65.989 Base-Backbone interact. energy: -0.029 local terms energy: -62.630024 where: bonds (distance) C4'-P energy: -12.262 bonds (distance) P-C4' energy: -13.952 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -7.527 tors. eta vs tors. theta energy: -16.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 140 Temperature: 1.000000 Total energy: -185.635189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.635189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.635189 (E_RNA) where: Base-Base interactions energy: -117.962 where: short stacking energy: -54.161 Base-Backbone interact. energy: -0.075 local terms energy: -67.598291 where: bonds (distance) C4'-P energy: -9.747 bonds (distance) P-C4' energy: -14.345 flat angles C4'-P-C4' energy: -13.787 flat angles P-C4'-P energy: -10.933 tors. eta vs tors. theta energy: -18.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 140 Temperature: 1.050000 Total energy: -174.848807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.848807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.848807 (E_RNA) where: Base-Base interactions energy: -112.249 where: short stacking energy: -52.872 Base-Backbone interact. energy: 0.437 local terms energy: -63.036352 where: bonds (distance) C4'-P energy: -10.981 bonds (distance) P-C4' energy: -12.604 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -9.312 tors. eta vs tors. theta energy: -16.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 140 Temperature: 1.100000 Total energy: -170.564273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.564273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.564273 (E_RNA) where: Base-Base interactions energy: -111.342 where: short stacking energy: -47.432 Base-Backbone interact. energy: -0.112 local terms energy: -59.110960 where: bonds (distance) C4'-P energy: -9.220 bonds (distance) P-C4' energy: -13.999 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -9.908 tors. eta vs tors. theta energy: -13.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 140 Temperature: 1.150000 Total energy: -173.436603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.436603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.436603 (E_RNA) where: Base-Base interactions energy: -107.640 where: short stacking energy: -50.191 Base-Backbone interact. energy: -0.232 local terms energy: -65.564587 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -11.730 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -15.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 140 Temperature: 1.200000 Total energy: -88.043825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.043825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.043825 (E_RNA) where: Base-Base interactions energy: -38.332 where: short stacking energy: -28.301 Base-Backbone interact. energy: -0.036 local terms energy: -49.676291 where: bonds (distance) C4'-P energy: -11.063 bonds (distance) P-C4' energy: -13.162 flat angles C4'-P-C4' energy: -10.076 flat angles P-C4'-P energy: -10.707 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: 8, replica: 5 ===================================== Write number: 140 Temperature: 1.250000 Total energy: -88.209380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.209380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.209380 (E_RNA) where: Base-Base interactions energy: -34.653 where: short stacking energy: -30.583 Base-Backbone interact. energy: -0.510 local terms energy: -53.046427 where: bonds (distance) C4'-P energy: -11.212 bonds (distance) P-C4' energy: -15.521 flat angles C4'-P-C4' energy: -10.373 flat angles P-C4'-P energy: -7.180 tors. eta vs tors. theta energy: -8.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 140 Temperature: 1.300000 Total energy: -137.201974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -137.201974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -137.201974 (E_RNA) where: Base-Base interactions energy: -79.655 where: short stacking energy: -30.099 Base-Backbone interact. energy: -0.248 local terms energy: -57.298920 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -7.671 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: 140 Temperature: 1.350000 Total energy: -74.334501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.334501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.334501 (E_RNA) where: Base-Base interactions energy: -26.296 where: short stacking energy: -25.246 Base-Backbone interact. energy: -1.258 local terms energy: -46.780972 where: bonds (distance) C4'-P energy: -14.108 bonds (distance) P-C4' energy: -15.544 flat angles C4'-P-C4' energy: -9.758 flat angles P-C4'-P energy: -6.626 tors. eta vs tors. theta energy: -0.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 141 Temperature: 0.900000 Total energy: -210.683898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.683898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.683898 (E_RNA) where: Base-Base interactions energy: -140.526 where: short stacking energy: -67.518 Base-Backbone interact. energy: -0.320 local terms energy: -69.838297 where: bonds (distance) C4'-P energy: -10.674 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -12.200 flat angles P-C4'-P energy: -13.720 tors. eta vs tors. theta energy: -17.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 141 Temperature: 0.950000 Total energy: -191.785315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.785315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.785315 (E_RNA) where: Base-Base interactions energy: -121.275 where: short stacking energy: -50.757 Base-Backbone interact. energy: -0.105 local terms energy: -70.405831 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -13.966 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: -17.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 141 Temperature: 1.000000 Total energy: -200.767663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.767663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.767663 (E_RNA) where: Base-Base interactions energy: -132.662 where: short stacking energy: -65.522 Base-Backbone interact. energy: -0.017 local terms energy: -68.088713 where: bonds (distance) C4'-P energy: -11.601 bonds (distance) P-C4' energy: -14.254 flat angles C4'-P-C4' energy: -15.680 flat angles P-C4'-P energy: -8.331 tors. eta vs tors. theta energy: -18.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 141 Temperature: 1.050000 Total energy: -169.905174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.905174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.905174 (E_RNA) where: Base-Base interactions energy: -106.662 where: short stacking energy: -50.678 Base-Backbone interact. energy: -0.146 local terms energy: -63.096819 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -13.612 flat angles P-C4'-P energy: -10.009 tors. eta vs tors. theta energy: -10.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 141 Temperature: 1.100000 Total energy: -183.284356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.284356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.284356 (E_RNA) where: Base-Base interactions energy: -122.800 where: short stacking energy: -56.463 Base-Backbone interact. energy: -0.014 local terms energy: -60.469690 where: bonds (distance) C4'-P energy: -9.323 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -14.054 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -13.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 141 Temperature: 1.150000 Total energy: -141.959630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.959630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.959630 (E_RNA) where: Base-Base interactions energy: -83.425 where: short stacking energy: -35.066 Base-Backbone interact. energy: -0.116 local terms energy: -58.418048 where: bonds (distance) C4'-P energy: -15.438 bonds (distance) P-C4' energy: -11.834 flat angles C4'-P-C4' energy: -12.882 flat angles P-C4'-P energy: -10.445 tors. eta vs tors. theta energy: -7.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 141 Temperature: 1.200000 Total energy: -97.887323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.887323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.887323 (E_RNA) where: Base-Base interactions energy: -37.372 where: short stacking energy: -37.372 Base-Backbone interact. energy: -0.127 local terms energy: -60.388326 where: bonds (distance) C4'-P energy: -13.592 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -8.489 tors. eta vs tors. theta energy: -8.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 141 Temperature: 1.250000 Total energy: -88.069932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.069932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.069932 (E_RNA) where: Base-Base interactions energy: -48.591 where: short stacking energy: -34.719 Base-Backbone interact. energy: -0.109 local terms energy: -39.370269 where: bonds (distance) C4'-P energy: -13.953 bonds (distance) P-C4' energy: -7.535 flat angles C4'-P-C4' energy: -8.027 flat angles P-C4'-P energy: -4.800 tors. eta vs tors. theta energy: -5.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 141 Temperature: 1.300000 Total energy: -72.534556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.534556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.534556 (E_RNA) where: Base-Base interactions energy: -33.682 where: short stacking energy: -19.484 Base-Backbone interact. energy: -0.366 local terms energy: -38.486633 where: bonds (distance) C4'-P energy: -8.453 bonds (distance) P-C4' energy: -11.508 flat angles C4'-P-C4' energy: -13.801 flat angles P-C4'-P energy: -6.490 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: 10, replica: 8 ===================================== Write number: 141 Temperature: 1.350000 Total energy: -99.797871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.797871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.797871 (E_RNA) where: Base-Base interactions energy: -60.413 where: short stacking energy: -38.477 Base-Backbone interact. energy: -0.147 local terms energy: -39.238084 where: bonds (distance) C4'-P energy: -7.304 bonds (distance) P-C4' energy: -9.773 flat angles C4'-P-C4' energy: -8.814 flat angles P-C4'-P energy: -8.080 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: 1, replica: 6 ===================================== Write number: 142 Temperature: 0.900000 Total energy: -196.673168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.673168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.673168 (E_RNA) where: Base-Base interactions energy: -125.073 where: short stacking energy: -60.134 Base-Backbone interact. energy: -0.024 local terms energy: -71.576833 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -14.471 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -16.717 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: 142 Temperature: 0.950000 Total energy: -207.870387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.870387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.870387 (E_RNA) where: Base-Base interactions energy: -133.996 where: short stacking energy: -60.049 Base-Backbone interact. energy: -0.098 local terms energy: -73.776355 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -14.888 flat angles P-C4'-P energy: -9.022 tors. eta vs tors. theta energy: -18.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 142 Temperature: 1.000000 Total energy: -180.749390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.749390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.749390 (E_RNA) where: Base-Base interactions energy: -119.547 where: short stacking energy: -49.911 Base-Backbone interact. energy: -0.018 local terms energy: -61.184058 where: bonds (distance) C4'-P energy: -13.096 bonds (distance) P-C4' energy: -15.586 flat angles C4'-P-C4' energy: -11.476 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -11.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 142 Temperature: 1.050000 Total energy: -204.424851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.424851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.424851 (E_RNA) where: Base-Base interactions energy: -136.053 where: short stacking energy: -66.346 Base-Backbone interact. energy: -0.005 local terms energy: -68.367044 where: bonds (distance) C4'-P energy: -15.546 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -12.851 flat angles P-C4'-P energy: -8.405 tors. eta vs tors. theta energy: -18.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 142 Temperature: 1.100000 Total energy: -138.208958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.208958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.208958 (E_RNA) where: Base-Base interactions energy: -82.904 where: short stacking energy: -41.717 Base-Backbone interact. energy: -0.067 local terms energy: -55.237700 where: bonds (distance) C4'-P energy: -11.328 bonds (distance) P-C4' energy: -7.621 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -11.978 tors. eta vs tors. theta energy: -9.627 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: 6, replica: 3 ===================================== Write number: 142 Temperature: 1.150000 Total energy: -161.612753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.612753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.612753 (E_RNA) where: Base-Base interactions energy: -99.770 where: short stacking energy: -46.210 Base-Backbone interact. energy: -0.312 local terms energy: -61.530340 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -11.763 flat angles C4'-P-C4' energy: -14.983 flat angles P-C4'-P energy: -11.798 tors. eta vs tors. theta energy: -10.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 142 Temperature: 1.200000 Total energy: -102.697912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.697912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.697912 (E_RNA) where: Base-Base interactions energy: -56.670 where: short stacking energy: -44.788 Base-Backbone interact. energy: -0.024 local terms energy: -46.003745 where: bonds (distance) C4'-P energy: -3.492 bonds (distance) P-C4' energy: -12.850 flat angles C4'-P-C4' energy: -14.325 flat angles P-C4'-P energy: -4.082 tors. eta vs tors. theta energy: -11.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 142 Temperature: 1.250000 Total energy: -87.199340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.199340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.199340 (E_RNA) where: Base-Base interactions energy: -35.136 where: short stacking energy: -34.596 Base-Backbone interact. energy: -0.009 local terms energy: -52.054266 where: bonds (distance) C4'-P energy: -13.145 bonds (distance) P-C4' energy: -11.704 flat angles C4'-P-C4' energy: -10.847 flat angles P-C4'-P energy: -9.873 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: 9, replica: 8 ===================================== Write number: 142 Temperature: 1.300000 Total energy: -73.824639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.824639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.824639 (E_RNA) where: Base-Base interactions energy: -26.612 where: short stacking energy: -23.207 Base-Backbone interact. energy: -0.175 local terms energy: -47.037826 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -14.347 flat angles C4'-P-C4' energy: -10.055 flat angles P-C4'-P energy: -8.971 tors. eta vs tors. theta energy: -2.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 142 Temperature: 1.350000 Total energy: -73.349584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.349584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.349584 (E_RNA) where: Base-Base interactions energy: -27.104 where: short stacking energy: -27.104 Base-Backbone interact. energy: -0.007 local terms energy: -46.238493 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -11.408 flat angles C4'-P-C4' energy: -9.787 flat angles P-C4'-P energy: -9.213 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: 1, replica: 6 ===================================== Write number: 143 Temperature: 0.900000 Total energy: -193.621259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.621259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.621259 (E_RNA) where: Base-Base interactions energy: -122.599 where: short stacking energy: -54.062 Base-Backbone interact. energy: -0.209 local terms energy: -70.812916 where: bonds (distance) C4'-P energy: -13.650 bonds (distance) P-C4' energy: -13.918 flat angles C4'-P-C4' energy: -14.284 flat angles P-C4'-P energy: -10.252 tors. eta vs tors. theta energy: -18.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 143 Temperature: 0.950000 Total energy: -187.339897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.339897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.339897 (E_RNA) where: Base-Base interactions energy: -116.320 where: short stacking energy: -47.930 Base-Backbone interact. energy: -0.112 local terms energy: -70.907771 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -16.397 flat angles C4'-P-C4' energy: -14.137 flat angles P-C4'-P energy: -9.007 tors. eta vs tors. theta energy: -15.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 143 Temperature: 1.000000 Total energy: -192.349903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.349903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.349903 (E_RNA) where: Base-Base interactions energy: -128.093 where: short stacking energy: -55.991 Base-Backbone interact. energy: -0.277 local terms energy: -63.979546 where: bonds (distance) C4'-P energy: -10.504 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -11.742 tors. eta vs tors. theta energy: -13.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 143 Temperature: 1.050000 Total energy: -195.300243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.300243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.300243 (E_RNA) where: Base-Base interactions energy: -129.676 where: short stacking energy: -55.315 Base-Backbone interact. energy: 0.083 local terms energy: -65.708126 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -13.971 flat angles P-C4'-P energy: -11.573 tors. eta vs tors. theta energy: -14.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 143 Temperature: 1.100000 Total energy: -128.718560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.718560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.718560 (E_RNA) where: Base-Base interactions energy: -72.823 where: short stacking energy: -40.966 Base-Backbone interact. energy: -0.002 local terms energy: -55.893670 where: bonds (distance) C4'-P energy: -9.154 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -12.347 flat angles P-C4'-P energy: -10.388 tors. eta vs tors. theta energy: -8.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 143 Temperature: 1.150000 Total energy: -168.685928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.685928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.685928 (E_RNA) where: Base-Base interactions energy: -113.987 where: short stacking energy: -48.182 Base-Backbone interact. energy: -0.591 local terms energy: -54.107876 where: bonds (distance) C4'-P energy: -11.601 bonds (distance) P-C4' energy: -12.026 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -5.864 tors. eta vs tors. theta energy: -16.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 143 Temperature: 1.200000 Total energy: -86.300768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.300768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.300768 (E_RNA) where: Base-Base interactions energy: -31.137 where: short stacking energy: -31.137 Base-Backbone interact. energy: -0.066 local terms energy: -55.098206 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -16.676 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -5.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 143 Temperature: 1.250000 Total energy: -78.421586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.421586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.421586 (E_RNA) where: Base-Base interactions energy: -34.784 where: short stacking energy: -28.562 Base-Backbone interact. energy: -0.462 local terms energy: -43.175526 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -10.798 flat angles C4'-P-C4' energy: -12.858 flat angles P-C4'-P energy: -5.989 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: 2 ===================================== Write number: 143 Temperature: 1.300000 Total energy: -77.977909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.977909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.977909 (E_RNA) where: Base-Base interactions energy: -33.758 where: short stacking energy: -20.073 Base-Backbone interact. energy: -0.319 local terms energy: -43.901197 where: bonds (distance) C4'-P energy: -6.987 bonds (distance) P-C4' energy: -10.695 flat angles C4'-P-C4' energy: -13.997 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -2.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 143 Temperature: 1.350000 Total energy: -117.955463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.955463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.955463 (E_RNA) where: Base-Base interactions energy: -69.177 where: short stacking energy: -34.745 Base-Backbone interact. energy: -0.173 local terms energy: -48.604857 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -13.469 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -2.505 tors. eta vs tors. theta energy: -7.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 144 Temperature: 0.900000 Total energy: -192.894469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.894469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.894469 (E_RNA) where: Base-Base interactions energy: -132.613 where: short stacking energy: -62.717 Base-Backbone interact. energy: -0.003 local terms energy: -60.278643 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -10.262 flat angles C4'-P-C4' energy: -12.507 flat angles P-C4'-P energy: -7.149 tors. eta vs tors. theta energy: -18.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 144 Temperature: 0.950000 Total energy: -187.547263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.547263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.547263 (E_RNA) where: Base-Base interactions energy: -120.083 where: short stacking energy: -54.070 Base-Backbone interact. energy: -0.286 local terms energy: -67.178690 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -13.607 flat angles P-C4'-P energy: -11.950 tors. eta vs tors. theta energy: -14.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 144 Temperature: 1.000000 Total energy: -186.315362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.315362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.315362 (E_RNA) where: Base-Base interactions energy: -118.941 where: short stacking energy: -52.754 Base-Backbone interact. energy: -0.349 local terms energy: -67.025264 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -14.859 flat angles C4'-P-C4' energy: -12.515 flat angles P-C4'-P energy: -10.963 tors. eta vs tors. theta energy: -14.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 144 Temperature: 1.050000 Total energy: -201.210354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.210354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.210354 (E_RNA) where: Base-Base interactions energy: -131.188 where: short stacking energy: -70.615 Base-Backbone interact. energy: -0.003 local terms energy: -70.019308 where: bonds (distance) C4'-P energy: -12.097 bonds (distance) P-C4' energy: -11.512 flat angles C4'-P-C4' energy: -15.538 flat angles P-C4'-P energy: -11.448 tors. eta vs tors. theta energy: -19.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 144 Temperature: 1.100000 Total energy: -178.287063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.287063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.287063 (E_RNA) where: Base-Base interactions energy: -118.522 where: short stacking energy: -53.788 Base-Backbone interact. energy: -0.130 local terms energy: -59.634551 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -11.106 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -4.677 tors. eta vs tors. theta energy: -15.920 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 144 Temperature: 1.150000 Total energy: -129.323879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.323879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.323879 (E_RNA) where: Base-Base interactions energy: -72.654 where: short stacking energy: -49.131 Base-Backbone interact. energy: -0.029 local terms energy: -56.641399 where: bonds (distance) C4'-P energy: -11.938 bonds (distance) P-C4' energy: -13.487 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -5.761 tors. eta vs tors. theta energy: -12.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 144 Temperature: 1.200000 Total energy: -84.673563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.673563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.673563 (E_RNA) where: Base-Base interactions energy: -38.764 where: short stacking energy: -30.595 Base-Backbone interact. energy: -0.027 local terms energy: -45.883030 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -12.592 flat angles C4'-P-C4' energy: -9.958 flat angles P-C4'-P energy: -6.054 tors. eta vs tors. theta energy: -5.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 144 Temperature: 1.250000 Total energy: -82.705593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.705593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.705593 (E_RNA) where: Base-Base interactions energy: -38.583 where: short stacking energy: -26.013 Base-Backbone interact. energy: -0.270 local terms energy: -43.852796 where: bonds (distance) C4'-P energy: -11.228 bonds (distance) P-C4' energy: -13.184 flat angles C4'-P-C4' energy: -11.452 flat angles P-C4'-P energy: -6.590 tors. eta vs tors. theta energy: -1.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 144 Temperature: 1.300000 Total energy: -83.153091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.153091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.153091 (E_RNA) where: Base-Base interactions energy: -34.428 where: short stacking energy: -34.428 Base-Backbone interact. energy: -0.114 local terms energy: -48.610800 where: bonds (distance) C4'-P energy: -9.424 bonds (distance) P-C4' energy: -13.099 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: -6.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 144 Temperature: 1.350000 Total energy: -82.159547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.159547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.159547 (E_RNA) where: Base-Base interactions energy: -44.510 where: short stacking energy: -23.720 Base-Backbone interact. energy: -0.146 local terms energy: -37.503188 where: bonds (distance) C4'-P energy: -9.053 bonds (distance) P-C4' energy: -12.236 flat angles C4'-P-C4' energy: -9.071 flat angles P-C4'-P energy: -8.348 tors. eta vs tors. theta energy: 1.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 145 Temperature: 0.900000 Total energy: -196.752326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.752326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.752326 (E_RNA) where: Base-Base interactions energy: -135.477 where: short stacking energy: -53.476 Base-Backbone interact. energy: -0.197 local terms energy: -61.078002 where: bonds (distance) C4'-P energy: -13.351 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -9.510 flat angles P-C4'-P energy: -7.341 tors. eta vs tors. theta energy: -14.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 145 Temperature: 0.950000 Total energy: -204.371955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.371955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.371955 (E_RNA) where: Base-Base interactions energy: -141.671 where: short stacking energy: -60.588 Base-Backbone interact. energy: -0.040 local terms energy: -62.661617 where: bonds (distance) C4'-P energy: -11.837 bonds (distance) P-C4' energy: -11.528 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -8.202 tors. eta vs tors. theta energy: -17.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 145 Temperature: 1.000000 Total energy: -184.583294 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.583294 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.583294 (E_RNA) where: Base-Base interactions energy: -121.030 where: short stacking energy: -57.736 Base-Backbone interact. energy: 1.444 local terms energy: -64.997317 where: bonds (distance) C4'-P energy: -14.369 bonds (distance) P-C4' energy: -13.455 flat angles C4'-P-C4' energy: -11.633 flat angles P-C4'-P energy: -12.156 tors. eta vs tors. theta energy: -13.384 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 145 Temperature: 1.050000 Total energy: -202.978182 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.978182 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.978182 (E_RNA) where: Base-Base interactions energy: -131.777 where: short stacking energy: -54.866 Base-Backbone interact. energy: 0.085 local terms energy: -71.286611 where: bonds (distance) C4'-P energy: -10.483 bonds (distance) P-C4' energy: -16.886 flat angles C4'-P-C4' energy: -15.614 flat angles P-C4'-P energy: -12.800 tors. eta vs tors. theta energy: -15.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 145 Temperature: 1.100000 Total energy: -180.485860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.485860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.485860 (E_RNA) where: Base-Base interactions energy: -124.586 where: short stacking energy: -58.372 Base-Backbone interact. energy: -0.917 local terms energy: -54.982749 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -12.930 flat angles C4'-P-C4' energy: -8.966 flat angles P-C4'-P energy: -5.409 tors. eta vs tors. theta energy: -16.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 145 Temperature: 1.150000 Total energy: -163.115794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.115794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.115794 (E_RNA) where: Base-Base interactions energy: -98.535 where: short stacking energy: -55.143 Base-Backbone interact. energy: -0.005 local terms energy: -64.576233 where: bonds (distance) C4'-P energy: -9.170 bonds (distance) P-C4' energy: -12.955 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -11.190 tors. eta vs tors. theta energy: -17.614 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 145 Temperature: 1.200000 Total energy: -84.359373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.359373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.359373 (E_RNA) where: Base-Base interactions energy: -40.535 where: short stacking energy: -27.103 Base-Backbone interact. energy: -0.471 local terms energy: -43.353131 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -13.188 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -1.233 tors. eta vs tors. theta energy: -3.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 145 Temperature: 1.250000 Total energy: -85.994262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.994262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.994262 (E_RNA) where: Base-Base interactions energy: -32.748 where: short stacking energy: -32.748 Base-Backbone interact. energy: 0.151 local terms energy: -53.397332 where: bonds (distance) C4'-P energy: -10.877 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -13.355 flat angles P-C4'-P energy: -8.365 tors. eta vs tors. theta energy: -8.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 145 Temperature: 1.300000 Total energy: -71.877207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.877207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.877207 (E_RNA) where: Base-Base interactions energy: -25.001 where: short stacking energy: -17.392 Base-Backbone interact. energy: -0.007 local terms energy: -46.869276 where: bonds (distance) C4'-P energy: -15.377 bonds (distance) P-C4' energy: -13.698 flat angles C4'-P-C4' energy: -10.529 flat angles P-C4'-P energy: -8.241 tors. eta vs tors. theta energy: 0.976 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: 2 ===================================== Write number: 145 Temperature: 1.350000 Total energy: -76.470536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.470536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.470536 (E_RNA) where: Base-Base interactions energy: -28.842 where: short stacking energy: -24.803 Base-Backbone interact. energy: -0.133 local terms energy: -47.496003 where: bonds (distance) C4'-P energy: -15.472 bonds (distance) P-C4' energy: -13.593 flat angles C4'-P-C4' energy: -8.876 flat angles P-C4'-P energy: -5.775 tors. eta vs tors. theta energy: -3.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 146 Temperature: 0.900000 Total energy: -209.072282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.072282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.072282 (E_RNA) where: Base-Base interactions energy: -138.175 where: short stacking energy: -66.959 Base-Backbone interact. energy: -0.045 local terms energy: -70.852644 where: bonds (distance) C4'-P energy: -15.671 bonds (distance) P-C4' energy: -13.421 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -8.552 tors. eta vs tors. theta energy: -18.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 146 Temperature: 0.950000 Total energy: -193.228051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.228051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.228051 (E_RNA) where: Base-Base interactions energy: -129.023 where: short stacking energy: -62.827 Base-Backbone interact. energy: -0.035 local terms energy: -64.169276 where: bonds (distance) C4'-P energy: -8.852 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -13.562 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -14.594 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: 9 ===================================== Write number: 146 Temperature: 1.000000 Total energy: -203.509889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.509889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.509889 (E_RNA) where: Base-Base interactions energy: -133.713 where: short stacking energy: -56.102 Base-Backbone interact. energy: -0.027 local terms energy: -69.769946 where: bonds (distance) C4'-P energy: -14.205 bonds (distance) P-C4' energy: -12.896 flat angles C4'-P-C4' energy: -16.021 flat angles P-C4'-P energy: -9.598 tors. eta vs tors. theta energy: -17.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 146 Temperature: 1.050000 Total energy: -173.695140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.695140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.695140 (E_RNA) where: Base-Base interactions energy: -111.040 where: short stacking energy: -54.200 Base-Backbone interact. energy: -0.066 local terms energy: -62.588846 where: bonds (distance) C4'-P energy: -7.787 bonds (distance) P-C4' energy: -14.572 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -10.868 tors. eta vs tors. theta energy: -15.767 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: 3 ===================================== Write number: 146 Temperature: 1.100000 Total energy: -183.981006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.981006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.981006 (E_RNA) where: Base-Base interactions energy: -114.640 where: short stacking energy: -56.939 Base-Backbone interact. energy: -0.002 local terms energy: -69.339440 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -10.323 tors. eta vs tors. theta energy: -17.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 146 Temperature: 1.150000 Total energy: -168.464791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.464791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.464791 (E_RNA) where: Base-Base interactions energy: -106.545 where: short stacking energy: -52.464 Base-Backbone interact. energy: -0.002 local terms energy: -61.917669 where: bonds (distance) C4'-P energy: -12.674 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -10.670 flat angles P-C4'-P energy: -9.098 tors. eta vs tors. theta energy: -15.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 146 Temperature: 1.200000 Total energy: -82.477304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.477304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.477304 (E_RNA) where: Base-Base interactions energy: -50.153 where: short stacking energy: -18.431 Base-Backbone interact. energy: 0.453 local terms energy: -32.776741 where: bonds (distance) C4'-P energy: -8.095 bonds (distance) P-C4' energy: -9.589 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -0.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 146 Temperature: 1.250000 Total energy: -92.431494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.431494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.431494 (E_RNA) where: Base-Base interactions energy: -57.628 where: short stacking energy: -28.693 Base-Backbone interact. energy: 2.598 local terms energy: -37.402055 where: bonds (distance) C4'-P energy: -10.929 bonds (distance) P-C4' energy: -15.812 flat angles C4'-P-C4' energy: -6.598 flat angles P-C4'-P energy: -5.350 tors. eta vs tors. theta energy: 1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 146 Temperature: 1.300000 Total energy: -80.769692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.769692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.769692 (E_RNA) where: Base-Base interactions energy: -32.775 where: short stacking energy: -32.775 Base-Backbone interact. energy: -0.127 local terms energy: -47.867052 where: bonds (distance) C4'-P energy: -9.254 bonds (distance) P-C4' energy: -15.316 flat angles C4'-P-C4' energy: -8.370 flat angles P-C4'-P energy: -6.901 tors. eta vs tors. theta energy: -8.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 146 Temperature: 1.350000 Total energy: -75.451587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.451587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.451587 (E_RNA) where: Base-Base interactions energy: -24.484 where: short stacking energy: -24.484 Base-Backbone interact. energy: -0.098 local terms energy: -50.869085 where: bonds (distance) C4'-P energy: -6.985 bonds (distance) P-C4' energy: -13.903 flat angles C4'-P-C4' energy: -11.756 flat angles P-C4'-P energy: -10.651 tors. eta vs tors. theta energy: -7.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 147 Temperature: 0.900000 Total energy: -212.568927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.568927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.568927 (E_RNA) where: Base-Base interactions energy: -138.578 where: short stacking energy: -64.680 Base-Backbone interact. energy: 1.194 local terms energy: -75.184813 where: bonds (distance) C4'-P energy: -14.175 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -15.539 flat angles P-C4'-P energy: -10.959 tors. eta vs tors. theta energy: -18.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 147 Temperature: 0.950000 Total energy: -199.190587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.190587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.190587 (E_RNA) where: Base-Base interactions energy: -128.514 where: short stacking energy: -62.800 Base-Backbone interact. energy: -0.045 local terms energy: -70.631330 where: bonds (distance) C4'-P energy: -11.944 bonds (distance) P-C4' energy: -14.409 flat angles C4'-P-C4' energy: -16.043 flat angles P-C4'-P energy: -9.115 tors. eta vs tors. theta energy: -19.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 147 Temperature: 1.000000 Total energy: -189.346344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.346344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.346344 (E_RNA) where: Base-Base interactions energy: -126.235 where: short stacking energy: -53.127 Base-Backbone interact. energy: 0.208 local terms energy: -63.318738 where: bonds (distance) C4'-P energy: -11.646 bonds (distance) P-C4' energy: -13.286 flat angles C4'-P-C4' energy: -14.798 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -16.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 147 Temperature: 1.050000 Total energy: -177.259634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.259634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.259634 (E_RNA) where: Base-Base interactions energy: -114.235 where: short stacking energy: -49.839 Base-Backbone interact. energy: -0.029 local terms energy: -62.995517 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -13.973 flat angles P-C4'-P energy: -8.189 tors. eta vs tors. theta energy: -12.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 147 Temperature: 1.100000 Total energy: -168.444433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.444433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.444433 (E_RNA) where: Base-Base interactions energy: -110.099 where: short stacking energy: -54.619 Base-Backbone interact. energy: -0.028 local terms energy: -58.317705 where: bonds (distance) C4'-P energy: -11.712 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -7.025 tors. eta vs tors. theta energy: -11.402 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: 147 Temperature: 1.150000 Total energy: -174.620845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.620845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.620845 (E_RNA) where: Base-Base interactions energy: -110.062 where: short stacking energy: -48.961 Base-Backbone interact. energy: 0.785 local terms energy: -65.343079 where: bonds (distance) C4'-P energy: -13.178 bonds (distance) P-C4' energy: -14.662 flat angles C4'-P-C4' energy: -14.163 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -15.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 147 Temperature: 1.200000 Total energy: -88.602730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.602730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.602730 (E_RNA) where: Base-Base interactions energy: -43.598 where: short stacking energy: -26.352 Base-Backbone interact. energy: 0.565 local terms energy: -45.569957 where: bonds (distance) C4'-P energy: -12.088 bonds (distance) P-C4' energy: -10.487 flat angles C4'-P-C4' energy: -9.830 flat angles P-C4'-P energy: -9.993 tors. eta vs tors. theta energy: -3.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 147 Temperature: 1.250000 Total energy: -89.062349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.062349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.062349 (E_RNA) where: Base-Base interactions energy: -36.544 where: short stacking energy: -29.885 Base-Backbone interact. energy: -0.188 local terms energy: -52.330555 where: bonds (distance) C4'-P energy: -12.838 bonds (distance) P-C4' energy: -13.776 flat angles C4'-P-C4' energy: -11.762 flat angles P-C4'-P energy: -6.382 tors. eta vs tors. theta energy: -7.572 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: 5 ===================================== Write number: 147 Temperature: 1.300000 Total energy: -69.686061 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.686061 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.686061 (E_RNA) where: Base-Base interactions energy: -23.325 where: short stacking energy: -23.325 Base-Backbone interact. energy: -0.004 local terms energy: -46.357194 where: bonds (distance) C4'-P energy: -15.173 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -11.446 flat angles P-C4'-P energy: -7.047 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: 147 Temperature: 1.350000 Total energy: -73.735262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.735262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.735262 (E_RNA) where: Base-Base interactions energy: -29.004 where: short stacking energy: -24.209 Base-Backbone interact. energy: -0.107 local terms energy: -44.624682 where: bonds (distance) C4'-P energy: -10.275 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -9.765 flat angles P-C4'-P energy: -9.123 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: 1, replica: 9 ===================================== Write number: 148 Temperature: 0.900000 Total energy: -199.057814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.057814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.057814 (E_RNA) where: Base-Base interactions energy: -133.406 where: short stacking energy: -54.402 Base-Backbone interact. energy: -0.185 local terms energy: -65.467513 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -12.472 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -10.363 tors. eta vs tors. theta energy: -14.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 148 Temperature: 0.950000 Total energy: -200.573799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.573799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.573799 (E_RNA) where: Base-Base interactions energy: -133.471 where: short stacking energy: -55.136 Base-Backbone interact. energy: -0.306 local terms energy: -66.796502 where: bonds (distance) C4'-P energy: -15.919 bonds (distance) P-C4' energy: -12.635 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -10.378 tors. eta vs tors. theta energy: -14.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 148 Temperature: 1.000000 Total energy: -177.214498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.214498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.214498 (E_RNA) where: Base-Base interactions energy: -115.005 where: short stacking energy: -57.438 Base-Backbone interact. energy: -0.062 local terms energy: -62.147436 where: bonds (distance) C4'-P energy: -10.524 bonds (distance) P-C4' energy: -12.125 flat angles C4'-P-C4' energy: -12.323 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -17.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 148 Temperature: 1.050000 Total energy: -187.587324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.587324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.587324 (E_RNA) where: Base-Base interactions energy: -126.131 where: short stacking energy: -50.999 Base-Backbone interact. energy: -0.163 local terms energy: -61.293289 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -10.978 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -9.155 tors. eta vs tors. theta energy: -15.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 148 Temperature: 1.100000 Total energy: -166.183725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.183725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.183725 (E_RNA) where: Base-Base interactions energy: -108.262 where: short stacking energy: -40.543 Base-Backbone interact. energy: -0.013 local terms energy: -57.909427 where: bonds (distance) C4'-P energy: -13.504 bonds (distance) P-C4' energy: -14.648 flat angles C4'-P-C4' energy: -7.032 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -13.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 148 Temperature: 1.150000 Total energy: -171.497259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.497259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.497259 (E_RNA) where: Base-Base interactions energy: -117.453 where: short stacking energy: -48.238 Base-Backbone interact. energy: -0.587 local terms energy: -53.457252 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -11.840 flat angles C4'-P-C4' energy: -10.416 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -12.625 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: 7, replica: 7 ===================================== Write number: 148 Temperature: 1.200000 Total energy: -83.913681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.913681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.913681 (E_RNA) where: Base-Base interactions energy: -30.180 where: short stacking energy: -30.180 Base-Backbone interact. energy: 0.108 local terms energy: -53.841547 where: bonds (distance) C4'-P energy: -16.142 bonds (distance) P-C4' energy: -15.113 flat angles C4'-P-C4' energy: -10.833 flat angles P-C4'-P energy: -7.693 tors. eta vs tors. theta energy: -4.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 148 Temperature: 1.250000 Total energy: -77.256230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.256230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.256230 (E_RNA) where: Base-Base interactions energy: -25.409 where: short stacking energy: -25.409 Base-Backbone interact. energy: -0.134 local terms energy: -51.712836 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -14.558 flat angles C4'-P-C4' energy: -9.422 flat angles P-C4'-P energy: -8.888 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: 9, replica: 8 ===================================== Write number: 148 Temperature: 1.300000 Total energy: -71.145707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.145707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.145707 (E_RNA) where: Base-Base interactions energy: -30.900 where: short stacking energy: -30.836 Base-Backbone interact. energy: -0.205 local terms energy: -40.041066 where: bonds (distance) C4'-P energy: -14.594 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -3.609 flat angles P-C4'-P energy: -7.662 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: 5 ===================================== Write number: 148 Temperature: 1.350000 Total energy: -79.131402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.131402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.131402 (E_RNA) where: Base-Base interactions energy: -38.624 where: short stacking energy: -24.136 Base-Backbone interact. energy: -0.466 local terms energy: -40.040907 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -13.771 flat angles C4'-P-C4' energy: -9.752 flat angles P-C4'-P energy: -9.294 tors. eta vs tors. theta energy: 2.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 149 Temperature: 0.900000 Total energy: -210.399881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.399881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.399881 (E_RNA) where: Base-Base interactions energy: -139.461 where: short stacking energy: -60.706 Base-Backbone interact. energy: -0.010 local terms energy: -70.928584 where: bonds (distance) C4'-P energy: -13.042 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -15.292 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: -16.727 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: 4 ===================================== Write number: 149 Temperature: 0.950000 Total energy: -184.264440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.264440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.264440 (E_RNA) where: Base-Base interactions energy: -121.213 where: short stacking energy: -54.714 Base-Backbone interact. energy: -0.016 local terms energy: -63.035815 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -13.390 flat angles C4'-P-C4' energy: -15.620 flat angles P-C4'-P energy: -9.034 tors. eta vs tors. theta energy: -12.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 149 Temperature: 1.000000 Total energy: -188.173154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.173154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.173154 (E_RNA) where: Base-Base interactions energy: -117.735 where: short stacking energy: -67.208 Base-Backbone interact. energy: -0.000 local terms energy: -70.437499 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -11.021 flat angles C4'-P-C4' energy: -14.064 flat angles P-C4'-P energy: -11.365 tors. eta vs tors. theta energy: -18.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 149 Temperature: 1.050000 Total energy: -183.901787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.901787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.901787 (E_RNA) where: Base-Base interactions energy: -122.735 where: short stacking energy: -56.584 Base-Backbone interact. energy: -0.060 local terms energy: -61.107047 where: bonds (distance) C4'-P energy: -7.039 bonds (distance) P-C4' energy: -14.804 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -9.673 tors. eta vs tors. theta energy: -16.409 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: 3 ===================================== Write number: 149 Temperature: 1.100000 Total energy: -171.798171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.798171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.798171 (E_RNA) where: Base-Base interactions energy: -109.274 where: short stacking energy: -51.640 Base-Backbone interact. energy: -0.002 local terms energy: -62.521616 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -12.518 flat angles C4'-P-C4' energy: -13.975 flat angles P-C4'-P energy: -8.962 tors. eta vs tors. theta energy: -12.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 149 Temperature: 1.150000 Total energy: -168.747599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.747599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.747599 (E_RNA) where: Base-Base interactions energy: -115.839 where: short stacking energy: -46.463 Base-Backbone interact. energy: -0.176 local terms energy: -52.732307 where: bonds (distance) C4'-P energy: -6.335 bonds (distance) P-C4' energy: -11.899 flat angles C4'-P-C4' energy: -13.315 flat angles P-C4'-P energy: -6.629 tors. eta vs tors. theta energy: -14.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 149 Temperature: 1.200000 Total energy: -82.584971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.584971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.584971 (E_RNA) where: Base-Base interactions energy: -29.004 where: short stacking energy: -24.687 Base-Backbone interact. energy: -0.023 local terms energy: -53.557486 where: bonds (distance) C4'-P energy: -11.997 bonds (distance) P-C4' energy: -12.916 flat angles C4'-P-C4' energy: -15.684 flat angles P-C4'-P energy: -9.495 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: 8 ===================================== Write number: 149 Temperature: 1.250000 Total energy: -87.174056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.174056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.174056 (E_RNA) where: Base-Base interactions energy: -29.156 where: short stacking energy: -29.156 Base-Backbone interact. energy: 0.198 local terms energy: -58.215966 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -11.089 flat angles C4'-P-C4' energy: -15.435 flat angles P-C4'-P energy: -7.390 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: 9, replica: 2 ===================================== Write number: 149 Temperature: 1.300000 Total energy: -70.149590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.149590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.149590 (E_RNA) where: Base-Base interactions energy: -22.824 where: short stacking energy: -22.824 Base-Backbone interact. energy: -1.143 local terms energy: -46.182375 where: bonds (distance) C4'-P energy: -10.645 bonds (distance) P-C4' energy: -15.520 flat angles C4'-P-C4' energy: -13.082 flat angles P-C4'-P energy: -5.727 tors. eta vs tors. theta energy: -1.208 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: 5 ===================================== Write number: 149 Temperature: 1.350000 Total energy: -79.689117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.689117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.689117 (E_RNA) where: Base-Base interactions energy: -38.165 where: short stacking energy: -38.165 Base-Backbone interact. energy: -0.064 local terms energy: -41.460438 where: bonds (distance) C4'-P energy: -9.642 bonds (distance) P-C4' energy: -11.086 flat angles C4'-P-C4' energy: -9.956 flat angles P-C4'-P energy: -3.573 tors. eta vs tors. theta energy: -7.203 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 150 Temperature: 0.900000 Total energy: -208.485417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.485417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.485417 (E_RNA) where: Base-Base interactions energy: -139.853 where: short stacking energy: -67.690 Base-Backbone interact. energy: -0.002 local terms energy: -68.630855 where: bonds (distance) C4'-P energy: -16.258 bonds (distance) P-C4' energy: -9.911 flat angles C4'-P-C4' energy: -13.845 flat angles P-C4'-P energy: -9.651 tors. eta vs tors. theta energy: -18.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 150 Temperature: 0.950000 Total energy: -209.623021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.623021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.623021 (E_RNA) where: Base-Base interactions energy: -145.288 where: short stacking energy: -66.233 Base-Backbone interact. energy: -0.133 local terms energy: -64.202219 where: bonds (distance) C4'-P energy: -9.963 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -16.502 flat angles P-C4'-P energy: -5.858 tors. eta vs tors. theta energy: -18.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 150 Temperature: 1.000000 Total energy: -185.003364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.003364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.003364 (E_RNA) where: Base-Base interactions energy: -117.372 where: short stacking energy: -59.315 Base-Backbone interact. energy: -0.014 local terms energy: -67.617555 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -12.600 flat angles C4'-P-C4' energy: -11.955 flat angles P-C4'-P energy: -11.997 tors. eta vs tors. theta energy: -17.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 150 Temperature: 1.050000 Total energy: -177.607977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.607977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.607977 (E_RNA) where: Base-Base interactions energy: -120.202 where: short stacking energy: -52.565 Base-Backbone interact. energy: -0.008 local terms energy: -57.397439 where: bonds (distance) C4'-P energy: -12.494 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -10.839 flat angles P-C4'-P energy: -8.945 tors. eta vs tors. theta energy: -12.936 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 150 Temperature: 1.100000 Total energy: -181.233720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.233720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.233720 (E_RNA) where: Base-Base interactions energy: -118.834 where: short stacking energy: -49.606 Base-Backbone interact. energy: -1.460 local terms energy: -60.939250 where: bonds (distance) C4'-P energy: -13.754 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -6.467 tors. eta vs tors. theta energy: -13.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 150 Temperature: 1.150000 Total energy: -165.389454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.389454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.389454 (E_RNA) where: Base-Base interactions energy: -105.550 where: short stacking energy: -45.033 Base-Backbone interact. energy: -0.224 local terms energy: -59.615446 where: bonds (distance) C4'-P energy: -14.469 bonds (distance) P-C4' energy: -11.956 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -10.851 tors. eta vs tors. theta energy: -8.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 150 Temperature: 1.200000 Total energy: -98.922659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.922659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.922659 (E_RNA) where: Base-Base interactions energy: -40.457 where: short stacking energy: -40.457 Base-Backbone interact. energy: -0.016 local terms energy: -58.449462 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -13.017 flat angles P-C4'-P energy: -7.794 tors. eta vs tors. theta energy: -11.590 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 150 Temperature: 1.250000 Total energy: -76.094926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.094926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.094926 (E_RNA) where: Base-Base interactions energy: -29.931 where: short stacking energy: -29.751 Base-Backbone interact. energy: -0.055 local terms energy: -46.108942 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -12.547 flat angles P-C4'-P energy: -1.917 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: 9, replica: 5 ===================================== Write number: 150 Temperature: 1.300000 Total energy: -80.536920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.536920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.536920 (E_RNA) where: Base-Base interactions energy: -22.939 where: short stacking energy: -22.939 Base-Backbone interact. energy: -0.078 local terms energy: -57.519698 where: bonds (distance) C4'-P energy: -11.187 bonds (distance) P-C4' energy: -16.479 flat angles C4'-P-C4' energy: -14.616 flat angles P-C4'-P energy: -6.774 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: 10, replica: 2 ===================================== Write number: 150 Temperature: 1.350000 Total energy: -86.385997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.385997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.385997 (E_RNA) where: Base-Base interactions energy: -34.837 where: short stacking energy: -18.616 Base-Backbone interact. energy: -0.101 local terms energy: -51.448437 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -12.055 flat angles P-C4'-P energy: -6.728 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: 1, replica: 4 ===================================== Write number: 151 Temperature: 0.900000 Total energy: -212.236342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.236342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.236342 (E_RNA) where: Base-Base interactions energy: -141.794 where: short stacking energy: -62.202 Base-Backbone interact. energy: -0.216 local terms energy: -70.225624 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -12.094 flat angles C4'-P-C4' energy: -15.113 flat angles P-C4'-P energy: -11.887 tors. eta vs tors. theta energy: -16.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 151 Temperature: 0.950000 Total energy: -195.234345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.234345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.234345 (E_RNA) where: Base-Base interactions energy: -126.727 where: short stacking energy: -62.017 Base-Backbone interact. energy: -1.683 local terms energy: -66.824553 where: bonds (distance) C4'-P energy: -9.348 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -17.575 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: 3, replica: 9 ===================================== Write number: 151 Temperature: 1.000000 Total energy: -201.687948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.687948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.687948 (E_RNA) where: Base-Base interactions energy: -133.174 where: short stacking energy: -63.990 Base-Backbone interact. energy: -0.001 local terms energy: -68.512594 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -10.670 flat angles C4'-P-C4' energy: -17.303 flat angles P-C4'-P energy: -7.380 tors. eta vs tors. theta energy: -19.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 151 Temperature: 1.050000 Total energy: -170.172986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.172986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.172986 (E_RNA) where: Base-Base interactions energy: -106.627 where: short stacking energy: -38.186 Base-Backbone interact. energy: -0.139 local terms energy: -63.406674 where: bonds (distance) C4'-P energy: -9.907 bonds (distance) P-C4' energy: -15.438 flat angles C4'-P-C4' energy: -13.966 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -14.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 151 Temperature: 1.100000 Total energy: -168.617732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.617732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.617732 (E_RNA) where: Base-Base interactions energy: -111.503 where: short stacking energy: -41.639 Base-Backbone interact. energy: -0.255 local terms energy: -56.859903 where: bonds (distance) C4'-P energy: -9.766 bonds (distance) P-C4' energy: -16.670 flat angles C4'-P-C4' energy: -9.874 flat angles P-C4'-P energy: -8.969 tors. eta vs tors. theta energy: -11.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 151 Temperature: 1.150000 Total energy: -164.924787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.924787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.924787 (E_RNA) where: Base-Base interactions energy: -104.342 where: short stacking energy: -44.077 Base-Backbone interact. energy: -0.003 local terms energy: -60.579489 where: bonds (distance) C4'-P energy: -8.839 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -14.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 151 Temperature: 1.200000 Total energy: -80.717135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.717135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.717135 (E_RNA) where: Base-Base interactions energy: -27.443 where: short stacking energy: -26.004 Base-Backbone interact. energy: 1.693 local terms energy: -54.967233 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -16.588 flat angles C4'-P-C4' energy: -15.715 flat angles P-C4'-P energy: -8.765 tors. eta vs tors. theta energy: -1.284 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 151 Temperature: 1.250000 Total energy: -81.110144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.110144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.110144 (E_RNA) where: Base-Base interactions energy: -25.938 where: short stacking energy: -25.938 Base-Backbone interact. energy: 0.962 local terms energy: -56.134375 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -11.785 flat angles C4'-P-C4' energy: -16.244 flat angles P-C4'-P energy: -8.923 tors. eta vs tors. theta energy: -4.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 151 Temperature: 1.300000 Total energy: -77.412671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.412671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.412671 (E_RNA) where: Base-Base interactions energy: -32.854 where: short stacking energy: -30.775 Base-Backbone interact. energy: -0.558 local terms energy: -44.000768 where: bonds (distance) C4'-P energy: -8.267 bonds (distance) P-C4' energy: -8.469 flat angles C4'-P-C4' energy: -12.057 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -5.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 151 Temperature: 1.350000 Total energy: -77.107206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.107206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.107206 (E_RNA) where: Base-Base interactions energy: -24.188 where: short stacking energy: -22.121 Base-Backbone interact. energy: -0.011 local terms energy: -52.908466 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -13.821 flat angles C4'-P-C4' energy: -10.326 flat angles P-C4'-P energy: -11.064 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: 1, replica: 4 ===================================== Write number: 152 Temperature: 0.900000 Total energy: -215.429921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.429921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.429921 (E_RNA) where: Base-Base interactions energy: -141.927 where: short stacking energy: -65.611 Base-Backbone interact. energy: -0.427 local terms energy: -73.075859 where: bonds (distance) C4'-P energy: -15.599 bonds (distance) P-C4' energy: -14.704 flat angles C4'-P-C4' energy: -16.011 flat angles P-C4'-P energy: -9.707 tors. eta vs tors. theta energy: -17.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 152 Temperature: 0.950000 Total energy: -194.022729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.022729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.022729 (E_RNA) where: Base-Base interactions energy: -125.693 where: short stacking energy: -62.288 Base-Backbone interact. energy: -0.001 local terms energy: -68.329294 where: bonds (distance) C4'-P energy: -13.943 bonds (distance) P-C4' energy: -14.383 flat angles C4'-P-C4' energy: -14.000 flat angles P-C4'-P energy: -7.935 tors. eta vs tors. theta energy: -18.068 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: 9 ===================================== Write number: 152 Temperature: 1.000000 Total energy: -204.913844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.913844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.913844 (E_RNA) where: Base-Base interactions energy: -137.330 where: short stacking energy: -58.939 Base-Backbone interact. energy: -0.024 local terms energy: -67.560477 where: bonds (distance) C4'-P energy: -12.860 bonds (distance) P-C4' energy: -13.906 flat angles C4'-P-C4' energy: -14.552 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -17.021 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: 1 ===================================== Write number: 152 Temperature: 1.050000 Total energy: -156.023470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.023470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.023470 (E_RNA) where: Base-Base interactions energy: -93.419 where: short stacking energy: -42.239 Base-Backbone interact. energy: -0.044 local terms energy: -62.559687 where: bonds (distance) C4'-P energy: -15.074 bonds (distance) P-C4' energy: -9.424 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -12.359 tors. eta vs tors. theta energy: -11.102 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 152 Temperature: 1.100000 Total energy: -179.759921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.759921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.759921 (E_RNA) where: Base-Base interactions energy: -118.043 where: short stacking energy: -59.115 Base-Backbone interact. energy: -0.001 local terms energy: -61.716391 where: bonds (distance) C4'-P energy: -14.349 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -13.146 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -14.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 152 Temperature: 1.150000 Total energy: -168.926130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.926130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.926130 (E_RNA) where: Base-Base interactions energy: -110.166 where: short stacking energy: -51.028 Base-Backbone interact. energy: -0.990 local terms energy: -57.770419 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -11.789 flat angles C4'-P-C4' energy: -12.559 flat angles P-C4'-P energy: -7.160 tors. eta vs tors. theta energy: -11.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 152 Temperature: 1.200000 Total energy: -88.077490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.077490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.077490 (E_RNA) where: Base-Base interactions energy: -42.497 where: short stacking energy: -24.969 Base-Backbone interact. energy: -0.100 local terms energy: -45.479992 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -14.016 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -4.771 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: 8 ===================================== Write number: 152 Temperature: 1.250000 Total energy: -92.271645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.271645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.271645 (E_RNA) where: Base-Base interactions energy: -52.904 where: short stacking energy: -32.292 Base-Backbone interact. energy: -0.184 local terms energy: -39.183346 where: bonds (distance) C4'-P energy: -10.393 bonds (distance) P-C4' energy: -8.825 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -6.475 tors. eta vs tors. theta energy: -4.820 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 152 Temperature: 1.300000 Total energy: -95.591649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.591649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.591649 (E_RNA) where: Base-Base interactions energy: -58.501 where: short stacking energy: -24.099 Base-Backbone interact. energy: 0.485 local terms energy: -37.575813 where: bonds (distance) C4'-P energy: -7.199 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -13.649 flat angles P-C4'-P energy: -3.564 tors. eta vs tors. theta energy: 1.101 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 152 Temperature: 1.350000 Total energy: -80.213911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.213911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.213911 (E_RNA) where: Base-Base interactions energy: -38.859 where: short stacking energy: -30.261 Base-Backbone interact. energy: -0.030 local terms energy: -41.324821 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -12.080 flat angles C4'-P-C4' energy: -8.637 flat angles P-C4'-P energy: -4.661 tors. eta vs tors. theta energy: -5.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 153 Temperature: 0.900000 Total energy: -212.194273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.194273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.194273 (E_RNA) where: Base-Base interactions energy: -145.396 where: short stacking energy: -61.792 Base-Backbone interact. energy: -0.064 local terms energy: -66.734654 where: bonds (distance) C4'-P energy: -13.849 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -16.287 flat angles P-C4'-P energy: -7.958 tors. eta vs tors. theta energy: -17.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 153 Temperature: 0.950000 Total energy: -206.006306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.006306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.006306 (E_RNA) where: Base-Base interactions energy: -142.908 where: short stacking energy: -58.991 Base-Backbone interact. energy: -0.008 local terms energy: -63.090355 where: bonds (distance) C4'-P energy: -12.330 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -10.455 tors. eta vs tors. theta energy: -12.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 153 Temperature: 1.000000 Total energy: -187.998965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.998965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.998965 (E_RNA) where: Base-Base interactions energy: -119.269 where: short stacking energy: -62.575 Base-Backbone interact. energy: -0.002 local terms energy: -68.727449 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -11.370 flat angles C4'-P-C4' energy: -13.153 flat angles P-C4'-P energy: -12.734 tors. eta vs tors. theta energy: -16.699 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: 3 ===================================== Write number: 153 Temperature: 1.050000 Total energy: -181.646693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.646693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.646693 (E_RNA) where: Base-Base interactions energy: -123.228 where: short stacking energy: -52.192 Base-Backbone interact. energy: 0.524 local terms energy: -58.942489 where: bonds (distance) C4'-P energy: -11.745 bonds (distance) P-C4' energy: -14.665 flat angles C4'-P-C4' energy: -14.217 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -11.009 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: 1 ===================================== Write number: 153 Temperature: 1.100000 Total energy: -176.704354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.704354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.704354 (E_RNA) where: Base-Base interactions energy: -117.205 where: short stacking energy: -56.604 Base-Backbone interact. energy: -0.050 local terms energy: -59.449204 where: bonds (distance) C4'-P energy: -9.737 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -15.403 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -15.817 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: 6, replica: 6 ===================================== Write number: 153 Temperature: 1.150000 Total energy: -178.880291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.880291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.880291 (E_RNA) where: Base-Base interactions energy: -117.051 where: short stacking energy: -53.204 Base-Backbone interact. energy: -0.003 local terms energy: -61.826240 where: bonds (distance) C4'-P energy: -11.264 bonds (distance) P-C4' energy: -15.432 flat angles C4'-P-C4' energy: -12.444 flat angles P-C4'-P energy: -8.794 tors. eta vs tors. theta energy: -13.893 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: 5 ===================================== Write number: 153 Temperature: 1.200000 Total energy: -96.792718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.792718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.792718 (E_RNA) where: Base-Base interactions energy: -37.262 where: short stacking energy: -37.262 Base-Backbone interact. energy: -0.347 local terms energy: -59.184422 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -12.883 flat angles C4'-P-C4' energy: -14.150 flat angles P-C4'-P energy: -11.314 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: 8, replica: 2 ===================================== Write number: 153 Temperature: 1.250000 Total energy: -99.135658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.135658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.135658 (E_RNA) where: Base-Base interactions energy: -54.658 where: short stacking energy: -25.831 Base-Backbone interact. energy: 0.219 local terms energy: -44.697447 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -12.390 flat angles C4'-P-C4' energy: -9.586 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -0.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 153 Temperature: 1.300000 Total energy: -104.839786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.839786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.839786 (E_RNA) where: Base-Base interactions energy: -61.858 where: short stacking energy: -31.170 Base-Backbone interact. energy: 0.188 local terms energy: -43.169872 where: bonds (distance) C4'-P energy: -9.385 bonds (distance) P-C4' energy: -7.091 flat angles C4'-P-C4' energy: -14.819 flat angles P-C4'-P energy: -7.993 tors. eta vs tors. theta energy: -3.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 153 Temperature: 1.350000 Total energy: -66.203494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.203494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.203494 (E_RNA) where: Base-Base interactions energy: -32.259 where: short stacking energy: -19.961 Base-Backbone interact. energy: 3.077 local terms energy: -37.021065 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -7.252 flat angles C4'-P-C4' energy: -5.237 flat angles P-C4'-P energy: -10.016 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: 1, replica: 4 ===================================== Write number: 154 Temperature: 0.900000 Total energy: -213.014300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.014300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.014300 (E_RNA) where: Base-Base interactions energy: -141.033 where: short stacking energy: -60.164 Base-Backbone interact. energy: -0.000 local terms energy: -71.981113 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -14.532 flat angles P-C4'-P energy: -11.197 tors. eta vs tors. theta energy: -18.762 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: 9 ===================================== Write number: 154 Temperature: 0.950000 Total energy: -204.610707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.610707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.610707 (E_RNA) where: Base-Base interactions energy: -138.347 where: short stacking energy: -62.746 Base-Backbone interact. energy: -0.104 local terms energy: -66.160053 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -12.603 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -18.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 154 Temperature: 1.000000 Total energy: -172.547262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.547262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.547262 (E_RNA) where: Base-Base interactions energy: -111.331 where: short stacking energy: -53.142 Base-Backbone interact. energy: -0.957 local terms energy: -60.259552 where: bonds (distance) C4'-P energy: -10.143 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -14.119 flat angles P-C4'-P energy: -9.925 tors. eta vs tors. theta energy: -12.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 154 Temperature: 1.050000 Total energy: -180.805114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.805114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.805114 (E_RNA) where: Base-Base interactions energy: -119.250 where: short stacking energy: -62.096 Base-Backbone interact. energy: -0.013 local terms energy: -61.541791 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -12.469 flat angles C4'-P-C4' energy: -11.407 flat angles P-C4'-P energy: -7.957 tors. eta vs tors. theta energy: -17.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 154 Temperature: 1.100000 Total energy: -184.232955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.232955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.232955 (E_RNA) where: Base-Base interactions energy: -122.848 where: short stacking energy: -55.386 Base-Backbone interact. energy: -0.165 local terms energy: -61.219058 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -11.548 flat angles C4'-P-C4' energy: -11.626 flat angles P-C4'-P energy: -8.768 tors. eta vs tors. theta energy: -14.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 154 Temperature: 1.150000 Total energy: -165.136241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.136241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.136241 (E_RNA) where: Base-Base interactions energy: -102.902 where: short stacking energy: -43.871 Base-Backbone interact. energy: -0.001 local terms energy: -62.233078 where: bonds (distance) C4'-P energy: -15.935 bonds (distance) P-C4' energy: -13.540 flat angles C4'-P-C4' energy: -12.991 flat angles P-C4'-P energy: -10.073 tors. eta vs tors. theta energy: -9.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 154 Temperature: 1.200000 Total energy: -93.959863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.959863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.959863 (E_RNA) where: Base-Base interactions energy: -42.469 where: short stacking energy: -35.657 Base-Backbone interact. energy: -0.019 local terms energy: -51.472016 where: bonds (distance) C4'-P energy: -9.961 bonds (distance) P-C4' energy: -13.993 flat angles C4'-P-C4' energy: -10.359 flat angles P-C4'-P energy: -8.219 tors. eta vs tors. theta energy: -8.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 154 Temperature: 1.250000 Total energy: -99.415312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.415312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.415312 (E_RNA) where: Base-Base interactions energy: -57.820 where: short stacking energy: -31.756 Base-Backbone interact. energy: -0.151 local terms energy: -41.443478 where: bonds (distance) C4'-P energy: -14.117 bonds (distance) P-C4' energy: -12.740 flat angles C4'-P-C4' energy: -8.261 flat angles P-C4'-P energy: -4.814 tors. eta vs tors. theta energy: -1.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 154 Temperature: 1.300000 Total energy: -122.169203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.169203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.169203 (E_RNA) where: Base-Base interactions energy: -68.768 where: short stacking energy: -34.334 Base-Backbone interact. energy: -0.019 local terms energy: -53.381985 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -11.676 flat angles P-C4'-P energy: -9.764 tors. eta vs tors. theta energy: -7.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 154 Temperature: 1.350000 Total energy: -69.467922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.467922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.467922 (E_RNA) where: Base-Base interactions energy: -24.250 where: short stacking energy: -19.589 Base-Backbone interact. energy: -0.850 local terms energy: -44.367248 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -9.453 flat angles C4'-P-C4' energy: -11.401 flat angles P-C4'-P energy: -11.049 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: 4 ===================================== Write number: 155 Temperature: 0.900000 Total energy: -211.092155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.092155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.092155 (E_RNA) where: Base-Base interactions energy: -136.318 where: short stacking energy: -59.671 Base-Backbone interact. energy: -0.060 local terms energy: -74.714460 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -14.672 flat angles C4'-P-C4' energy: -15.475 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -20.976 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: 9 ===================================== Write number: 155 Temperature: 0.950000 Total energy: -210.724618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.724618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.724618 (E_RNA) where: Base-Base interactions energy: -137.522 where: short stacking energy: -59.358 Base-Backbone interact. energy: -0.029 local terms energy: -73.173496 where: bonds (distance) C4'-P energy: -14.325 bonds (distance) P-C4' energy: -14.750 flat angles C4'-P-C4' energy: -13.854 flat angles P-C4'-P energy: -12.260 tors. eta vs tors. theta energy: -17.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 155 Temperature: 1.000000 Total energy: -187.371803 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.371803 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.371803 (E_RNA) where: Base-Base interactions energy: -124.545 where: short stacking energy: -57.284 Base-Backbone interact. energy: -0.184 local terms energy: -62.643088 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -13.316 flat angles C4'-P-C4' energy: -13.130 flat angles P-C4'-P energy: -4.381 tors. eta vs tors. theta energy: -17.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 155 Temperature: 1.050000 Total energy: -186.930855 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.930855 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.930855 (E_RNA) where: Base-Base interactions energy: -116.275 where: short stacking energy: -49.822 Base-Backbone interact. energy: -0.500 local terms energy: -70.156531 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -16.570 flat angles C4'-P-C4' energy: -15.355 flat angles P-C4'-P energy: -9.602 tors. eta vs tors. theta energy: -15.162 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 155 Temperature: 1.100000 Total energy: -168.166757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.166757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.166757 (E_RNA) where: Base-Base interactions energy: -104.141 where: short stacking energy: -49.289 Base-Backbone interact. energy: -0.178 local terms energy: -63.847861 where: bonds (distance) C4'-P energy: -14.746 bonds (distance) P-C4' energy: -12.818 flat angles C4'-P-C4' energy: -14.133 flat angles P-C4'-P energy: -9.122 tors. eta vs tors. theta energy: -13.029 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: 6 ===================================== Write number: 155 Temperature: 1.150000 Total energy: -171.334247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.334247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.334247 (E_RNA) where: Base-Base interactions energy: -106.907 where: short stacking energy: -52.942 Base-Backbone interact. energy: -0.032 local terms energy: -64.395785 where: bonds (distance) C4'-P energy: -14.632 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -15.766 flat angles P-C4'-P energy: -8.220 tors. eta vs tors. theta energy: -13.771 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: 2 ===================================== Write number: 155 Temperature: 1.200000 Total energy: -95.907797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.907797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.907797 (E_RNA) where: Base-Base interactions energy: -40.385 where: short stacking energy: -40.080 Base-Backbone interact. energy: -0.202 local terms energy: -55.320605 where: bonds (distance) C4'-P energy: -10.556 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -13.893 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -7.754 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: 8 ===================================== Write number: 155 Temperature: 1.250000 Total energy: -84.359352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.359352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.359352 (E_RNA) where: Base-Base interactions energy: -38.736 where: short stacking energy: -31.608 Base-Backbone interact. energy: -0.072 local terms energy: -45.551236 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -12.562 flat angles C4'-P-C4' energy: -12.638 flat angles P-C4'-P energy: -5.497 tors. eta vs tors. theta energy: -1.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 155 Temperature: 1.300000 Total energy: -77.499249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.499249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.499249 (E_RNA) where: Base-Base interactions energy: -29.457 where: short stacking energy: -29.457 Base-Backbone interact. energy: 1.981 local terms energy: -50.023559 where: bonds (distance) C4'-P energy: -10.068 bonds (distance) P-C4' energy: -15.300 flat angles C4'-P-C4' energy: -13.366 flat angles P-C4'-P energy: -8.524 tors. eta vs tors. theta energy: -2.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 155 Temperature: 1.350000 Total energy: -79.065631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.065631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.065631 (E_RNA) where: Base-Base interactions energy: -34.544 where: short stacking energy: -34.509 Base-Backbone interact. energy: -0.030 local terms energy: -44.491325 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -11.601 flat angles C4'-P-C4' energy: -11.756 flat angles P-C4'-P energy: -6.078 tors. eta vs tors. theta energy: -3.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 156 Temperature: 0.900000 Total energy: -209.770144 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.770144 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.770144 (E_RNA) where: Base-Base interactions energy: -141.692 where: short stacking energy: -64.088 Base-Backbone interact. energy: -0.001 local terms energy: -68.076700 where: bonds (distance) C4'-P energy: -16.084 bonds (distance) P-C4' energy: -9.598 flat angles C4'-P-C4' energy: -15.562 flat angles P-C4'-P energy: -9.332 tors. eta vs tors. theta energy: -17.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 156 Temperature: 0.950000 Total energy: -205.231603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.231603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.231603 (E_RNA) where: Base-Base interactions energy: -131.732 where: short stacking energy: -53.008 Base-Backbone interact. energy: -0.004 local terms energy: -73.495140 where: bonds (distance) C4'-P energy: -11.721 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -14.578 flat angles P-C4'-P energy: -11.392 tors. eta vs tors. theta energy: -19.608 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: 1 ===================================== Write number: 156 Temperature: 1.000000 Total energy: -178.737266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.737266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.737266 (E_RNA) where: Base-Base interactions energy: -110.116 where: short stacking energy: -53.259 Base-Backbone interact. energy: -1.231 local terms energy: -67.390049 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -14.095 flat angles C4'-P-C4' energy: -15.693 flat angles P-C4'-P energy: -8.018 tors. eta vs tors. theta energy: -15.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 156 Temperature: 1.050000 Total energy: -178.898899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.898899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.898899 (E_RNA) where: Base-Base interactions energy: -117.130 where: short stacking energy: -56.125 Base-Backbone interact. energy: -0.078 local terms energy: -61.690768 where: bonds (distance) C4'-P energy: -12.885 bonds (distance) P-C4' energy: -10.189 flat angles C4'-P-C4' energy: -12.491 flat angles P-C4'-P energy: -7.856 tors. eta vs tors. theta energy: -18.269 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: 5, replica: 6 ===================================== Write number: 156 Temperature: 1.100000 Total energy: -182.683793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.683793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.683793 (E_RNA) where: Base-Base interactions energy: -120.541 where: short stacking energy: -53.194 Base-Backbone interact. energy: -0.022 local terms energy: -62.120236 where: bonds (distance) C4'-P energy: -12.583 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -10.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 156 Temperature: 1.150000 Total energy: -173.701208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.701208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.701208 (E_RNA) where: Base-Base interactions energy: -105.717 where: short stacking energy: -53.270 Base-Backbone interact. energy: -0.005 local terms energy: -67.979755 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -14.722 flat angles C4'-P-C4' energy: -15.175 flat angles P-C4'-P energy: -9.171 tors. eta vs tors. theta energy: -17.336 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 156 Temperature: 1.200000 Total energy: -102.595716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.595716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.595716 (E_RNA) where: Base-Base interactions energy: -48.536 where: short stacking energy: -31.480 Base-Backbone interact. energy: 1.799 local terms energy: -55.858727 where: bonds (distance) C4'-P energy: -15.323 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -12.885 flat angles P-C4'-P energy: -4.958 tors. eta vs tors. theta energy: -8.646 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: 2 ===================================== Write number: 156 Temperature: 1.250000 Total energy: -109.584901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.584901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.584901 (E_RNA) where: Base-Base interactions energy: -65.592 where: short stacking energy: -23.614 Base-Backbone interact. energy: -0.149 local terms energy: -43.844437 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -10.642 flat angles C4'-P-C4' energy: -12.182 flat angles P-C4'-P energy: -5.240 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: 9, replica: 7 ===================================== Write number: 156 Temperature: 1.300000 Total energy: -78.203644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.203644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.203644 (E_RNA) where: Base-Base interactions energy: -27.263 where: short stacking energy: -26.224 Base-Backbone interact. energy: -0.039 local terms energy: -50.902229 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -12.027 flat angles P-C4'-P energy: -5.432 tors. eta vs tors. theta energy: -6.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 156 Temperature: 1.350000 Total energy: -68.023015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.023015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.023015 (E_RNA) where: Base-Base interactions energy: -16.185 where: short stacking energy: -16.185 Base-Backbone interact. energy: -0.018 local terms energy: -51.819748 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 157 Temperature: 0.900000 Total energy: -203.952377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.952377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.952377 (E_RNA) where: Base-Base interactions energy: -135.671 where: short stacking energy: -65.805 Base-Backbone interact. energy: -0.301 local terms energy: -67.980405 where: bonds (distance) C4'-P energy: -11.021 bonds (distance) P-C4' energy: -15.288 flat angles C4'-P-C4' energy: -14.959 flat angles P-C4'-P energy: -9.710 tors. eta vs tors. theta energy: -17.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 157 Temperature: 0.950000 Total energy: -194.148784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.148784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.148784 (E_RNA) where: Base-Base interactions energy: -128.876 where: short stacking energy: -68.530 Base-Backbone interact. energy: 0.364 local terms energy: -65.636322 where: bonds (distance) C4'-P energy: -11.601 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -14.437 flat angles P-C4'-P energy: -9.868 tors. eta vs tors. theta energy: -15.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 157 Temperature: 1.000000 Total energy: -188.136780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.136780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.136780 (E_RNA) where: Base-Base interactions energy: -124.708 where: short stacking energy: -54.104 Base-Backbone interact. energy: -0.103 local terms energy: -63.325369 where: bonds (distance) C4'-P energy: -11.506 bonds (distance) P-C4' energy: -11.777 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -12.648 tors. eta vs tors. theta energy: -13.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 157 Temperature: 1.050000 Total energy: -175.872468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.872468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.872468 (E_RNA) where: Base-Base interactions energy: -113.957 where: short stacking energy: -56.007 Base-Backbone interact. energy: -0.045 local terms energy: -61.870551 where: bonds (distance) C4'-P energy: -14.357 bonds (distance) P-C4' energy: -13.172 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -7.290 tors. eta vs tors. theta energy: -14.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 157 Temperature: 1.100000 Total energy: -162.457112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.457112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.457112 (E_RNA) where: Base-Base interactions energy: -106.368 where: short stacking energy: -48.369 Base-Backbone interact. energy: -0.109 local terms energy: -55.979723 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -11.729 flat angles C4'-P-C4' energy: -9.478 flat angles P-C4'-P energy: -11.304 tors. eta vs tors. theta energy: -11.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 157 Temperature: 1.150000 Total energy: -167.335081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.335081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.335081 (E_RNA) where: Base-Base interactions energy: -115.391 where: short stacking energy: -50.142 Base-Backbone interact. energy: -0.064 local terms energy: -51.880201 where: bonds (distance) C4'-P energy: -8.872 bonds (distance) P-C4' energy: -14.272 flat angles C4'-P-C4' energy: -11.454 flat angles P-C4'-P energy: -5.412 tors. eta vs tors. theta energy: -11.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 157 Temperature: 1.200000 Total energy: -107.647450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.647450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.647450 (E_RNA) where: Base-Base interactions energy: -58.127 where: short stacking energy: -34.135 Base-Backbone interact. energy: -0.035 local terms energy: -49.485353 where: bonds (distance) C4'-P energy: -9.674 bonds (distance) P-C4' energy: -17.101 flat angles C4'-P-C4' energy: -11.151 flat angles P-C4'-P energy: -6.084 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: 8, replica: 7 ===================================== Write number: 157 Temperature: 1.250000 Total energy: -85.290346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.290346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.290346 (E_RNA) where: Base-Base interactions energy: -40.067 where: short stacking energy: -37.412 Base-Backbone interact. energy: 1.329 local terms energy: -46.552542 where: bonds (distance) C4'-P energy: -13.191 bonds (distance) P-C4' energy: -15.567 flat angles C4'-P-C4' energy: -6.098 flat angles P-C4'-P energy: -8.999 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: 9, replica: 2 ===================================== Write number: 157 Temperature: 1.300000 Total energy: -108.523242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.523242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.523242 (E_RNA) where: Base-Base interactions energy: -61.970 where: short stacking energy: -26.729 Base-Backbone interact. energy: 0.788 local terms energy: -47.341185 where: bonds (distance) C4'-P energy: -10.971 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -11.565 flat angles P-C4'-P energy: -6.314 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: 10, replica: 5 ===================================== Write number: 157 Temperature: 1.350000 Total energy: -70.382926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.382926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.382926 (E_RNA) where: Base-Base interactions energy: -31.436 where: short stacking energy: -21.571 Base-Backbone interact. energy: -0.942 local terms energy: -38.004967 where: bonds (distance) C4'-P energy: -10.275 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -10.318 flat angles P-C4'-P energy: -1.680 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: 1, replica: 1 ===================================== Write number: 158 Temperature: 0.900000 Total energy: -194.210625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.210625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.210625 (E_RNA) where: Base-Base interactions energy: -130.750 where: short stacking energy: -56.832 Base-Backbone interact. energy: 0.050 local terms energy: -63.510730 where: bonds (distance) C4'-P energy: -14.142 bonds (distance) P-C4' energy: -11.714 flat angles C4'-P-C4' energy: -10.196 flat angles P-C4'-P energy: -11.419 tors. eta vs tors. theta energy: -16.039 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 158 Temperature: 0.950000 Total energy: -208.041756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.041756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.041756 (E_RNA) where: Base-Base interactions energy: -135.191 where: short stacking energy: -63.399 Base-Backbone interact. energy: -0.008 local terms energy: -72.843136 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -15.576 flat angles P-C4'-P energy: -10.618 tors. eta vs tors. theta energy: -19.942 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: 9 ===================================== Write number: 158 Temperature: 1.000000 Total energy: -199.509531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.509531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.509531 (E_RNA) where: Base-Base interactions energy: -128.821 where: short stacking energy: -67.294 Base-Backbone interact. energy: -0.051 local terms energy: -70.638264 where: bonds (distance) C4'-P energy: -12.579 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -12.527 flat angles P-C4'-P energy: -12.374 tors. eta vs tors. theta energy: -19.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 158 Temperature: 1.050000 Total energy: -188.527555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.527555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.527555 (E_RNA) where: Base-Base interactions energy: -121.620 where: short stacking energy: -57.096 Base-Backbone interact. energy: -0.022 local terms energy: -66.885279 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -10.742 tors. eta vs tors. theta energy: -16.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 158 Temperature: 1.100000 Total energy: -177.855575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.855575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.855575 (E_RNA) where: Base-Base interactions energy: -115.269 where: short stacking energy: -45.992 Base-Backbone interact. energy: -0.163 local terms energy: -62.423891 where: bonds (distance) C4'-P energy: -14.419 bonds (distance) P-C4' energy: -9.558 flat angles C4'-P-C4' energy: -14.244 flat angles P-C4'-P energy: -10.234 tors. eta vs tors. theta energy: -13.969 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: 3 ===================================== Write number: 158 Temperature: 1.150000 Total energy: -169.253117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.253117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.253117 (E_RNA) where: Base-Base interactions energy: -106.495 where: short stacking energy: -48.535 Base-Backbone interact. energy: -0.014 local terms energy: -62.744011 where: bonds (distance) C4'-P energy: -11.496 bonds (distance) P-C4' energy: -13.224 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -15.096 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: 8 ===================================== Write number: 158 Temperature: 1.200000 Total energy: -98.708657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.708657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.708657 (E_RNA) where: Base-Base interactions energy: -50.457 where: short stacking energy: -36.669 Base-Backbone interact. energy: -0.003 local terms energy: -48.248623 where: bonds (distance) C4'-P energy: -10.180 bonds (distance) P-C4' energy: -13.367 flat angles C4'-P-C4' energy: -10.743 flat angles P-C4'-P energy: -4.621 tors. eta vs tors. theta energy: -9.338 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: 8, replica: 7 ===================================== Write number: 158 Temperature: 1.250000 Total energy: -89.182403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.182403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.182403 (E_RNA) where: Base-Base interactions energy: -39.941 where: short stacking energy: -30.433 Base-Backbone interact. energy: -0.962 local terms energy: -48.279160 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -10.758 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -4.284 tors. eta vs tors. theta energy: -6.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 158 Temperature: 1.300000 Total energy: -73.066301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.066301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.066301 (E_RNA) where: Base-Base interactions energy: -39.879 where: short stacking energy: -27.639 Base-Backbone interact. energy: 0.053 local terms energy: -33.240107 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -8.118 flat angles C4'-P-C4' energy: -10.568 flat angles P-C4'-P energy: -3.504 tors. eta vs tors. theta energy: 2.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 158 Temperature: 1.350000 Total energy: -68.071149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.071149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.071149 (E_RNA) where: Base-Base interactions energy: -21.571 where: short stacking energy: -21.771 Base-Backbone interact. energy: 0.341 local terms energy: -46.840418 where: bonds (distance) C4'-P energy: -11.187 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -7.083 tors. eta vs tors. theta energy: -0.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 159 Temperature: 0.900000 Total energy: -192.695867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.695867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.695867 (E_RNA) where: Base-Base interactions energy: -130.005 where: short stacking energy: -53.494 Base-Backbone interact. energy: -0.075 local terms energy: -62.616337 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -13.285 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -6.373 tors. eta vs tors. theta energy: -16.768 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: 2, replica: 4 ===================================== Write number: 159 Temperature: 0.950000 Total energy: -202.317378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.317378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.317378 (E_RNA) where: Base-Base interactions energy: -133.350 where: short stacking energy: -66.803 Base-Backbone interact. energy: -0.449 local terms energy: -68.518495 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -13.178 flat angles P-C4'-P energy: -8.800 tors. eta vs tors. theta energy: -18.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 159 Temperature: 1.000000 Total energy: -202.460453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.460453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.460453 (E_RNA) where: Base-Base interactions energy: -130.193 where: short stacking energy: -61.843 Base-Backbone interact. energy: -0.020 local terms energy: -72.247179 where: bonds (distance) C4'-P energy: -14.450 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -14.631 flat angles P-C4'-P energy: -10.401 tors. eta vs tors. theta energy: -19.077 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: 4, replica: 6 ===================================== Write number: 159 Temperature: 1.050000 Total energy: -184.623561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.623561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.623561 (E_RNA) where: Base-Base interactions energy: -117.137 where: short stacking energy: -54.426 Base-Backbone interact. energy: -0.089 local terms energy: -67.397524 where: bonds (distance) C4'-P energy: -11.032 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -12.051 tors. eta vs tors. theta energy: -17.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 159 Temperature: 1.100000 Total energy: -170.062538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.062538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.062538 (E_RNA) where: Base-Base interactions energy: -110.979 where: short stacking energy: -43.336 Base-Backbone interact. energy: -0.120 local terms energy: -58.963121 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -12.722 flat angles P-C4'-P energy: -5.790 tors. eta vs tors. theta energy: -15.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 159 Temperature: 1.150000 Total energy: -170.177668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.177668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.177668 (E_RNA) where: Base-Base interactions energy: -111.825 where: short stacking energy: -51.362 Base-Backbone interact. energy: -0.667 local terms energy: -57.685787 where: bonds (distance) C4'-P energy: -12.561 bonds (distance) P-C4' energy: -11.664 flat angles C4'-P-C4' energy: -11.911 flat angles P-C4'-P energy: -4.801 tors. eta vs tors. theta energy: -16.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 159 Temperature: 1.200000 Total energy: -77.876535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.876535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.876535 (E_RNA) where: Base-Base interactions energy: -35.543 where: short stacking energy: -35.543 Base-Backbone interact. energy: -0.232 local terms energy: -42.101654 where: bonds (distance) C4'-P energy: -5.987 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -11.592 flat angles P-C4'-P energy: -5.333 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: 8, replica: 5 ===================================== Write number: 159 Temperature: 1.250000 Total energy: -86.277895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.277895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.277895 (E_RNA) where: Base-Base interactions energy: -32.978 where: short stacking energy: -30.568 Base-Backbone interact. energy: -0.243 local terms energy: -53.057262 where: bonds (distance) C4'-P energy: -8.280 bonds (distance) P-C4' energy: -13.914 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -9.693 tors. eta vs tors. theta energy: -7.745 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: 9, replica: 7 ===================================== Write number: 159 Temperature: 1.300000 Total energy: -72.974569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.974569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.974569 (E_RNA) where: Base-Base interactions energy: -29.092 where: short stacking energy: -26.598 Base-Backbone interact. energy: -0.160 local terms energy: -43.722566 where: bonds (distance) C4'-P energy: -10.913 bonds (distance) P-C4' energy: -10.976 flat angles C4'-P-C4' energy: -14.335 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -2.323 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: 10, replica: 2 ===================================== Write number: 159 Temperature: 1.350000 Total energy: -77.438617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.438617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.438617 (E_RNA) where: Base-Base interactions energy: -25.775 where: short stacking energy: -21.059 Base-Backbone interact. energy: -0.398 local terms energy: -51.265485 where: bonds (distance) C4'-P energy: -11.460 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -2.044 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 160 Temperature: 0.900000 Total energy: -213.395452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.395452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.395452 (E_RNA) where: Base-Base interactions energy: -136.825 where: short stacking energy: -67.884 Base-Backbone interact. energy: -0.284 local terms energy: -76.286410 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -14.479 flat angles C4'-P-C4' energy: -15.122 flat angles P-C4'-P energy: -9.475 tors. eta vs tors. theta energy: -21.693 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: 2, replica: 1 ===================================== Write number: 160 Temperature: 0.950000 Total energy: -194.251580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.251580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.251580 (E_RNA) where: Base-Base interactions energy: -130.464 where: short stacking energy: -60.005 Base-Backbone interact. energy: -0.000 local terms energy: -63.787111 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -10.735 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -7.161 tors. eta vs tors. theta energy: -18.963 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: 6 ===================================== Write number: 160 Temperature: 1.000000 Total energy: -184.360117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.360117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.360117 (E_RNA) where: Base-Base interactions energy: -118.139 where: short stacking energy: -56.328 Base-Backbone interact. energy: -0.004 local terms energy: -66.217044 where: bonds (distance) C4'-P energy: -11.671 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -18.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 160 Temperature: 1.050000 Total energy: -182.692349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.692349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.692349 (E_RNA) where: Base-Base interactions energy: -115.272 where: short stacking energy: -56.189 Base-Backbone interact. energy: -0.416 local terms energy: -67.004419 where: bonds (distance) C4'-P energy: -8.342 bonds (distance) P-C4' energy: -16.675 flat angles C4'-P-C4' energy: -15.336 flat angles P-C4'-P energy: -11.192 tors. eta vs tors. theta energy: -15.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 160 Temperature: 1.100000 Total energy: -171.880564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.880564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.880564 (E_RNA) where: Base-Base interactions energy: -117.842 where: short stacking energy: -51.802 Base-Backbone interact. energy: -0.957 local terms energy: -53.081440 where: bonds (distance) C4'-P energy: -11.452 bonds (distance) P-C4' energy: -10.975 flat angles C4'-P-C4' energy: -12.677 flat angles P-C4'-P energy: -5.335 tors. eta vs tors. theta energy: -12.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 160 Temperature: 1.150000 Total energy: -160.056892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.056892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.056892 (E_RNA) where: Base-Base interactions energy: -104.770 where: short stacking energy: -50.433 Base-Backbone interact. energy: -0.147 local terms energy: -55.139410 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -10.950 flat angles C4'-P-C4' energy: -11.263 flat angles P-C4'-P energy: -8.471 tors. eta vs tors. theta energy: -12.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 160 Temperature: 1.200000 Total energy: -83.937096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.937096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.937096 (E_RNA) where: Base-Base interactions energy: -37.623 where: short stacking energy: -37.327 Base-Backbone interact. energy: 0.544 local terms energy: -46.857427 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -11.765 flat angles C4'-P-C4' energy: -10.962 flat angles P-C4'-P energy: -7.571 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: 8, replica: 8 ===================================== Write number: 160 Temperature: 1.250000 Total energy: -87.171563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.171563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.171563 (E_RNA) where: Base-Base interactions energy: -42.282 where: short stacking energy: -31.962 Base-Backbone interact. energy: 0.320 local terms energy: -45.208886 where: bonds (distance) C4'-P energy: -8.293 bonds (distance) P-C4' energy: -11.992 flat angles C4'-P-C4' energy: -6.894 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -9.553 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: 2 ===================================== Write number: 160 Temperature: 1.300000 Total energy: -85.965950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.965950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.965950 (E_RNA) where: Base-Base interactions energy: -37.986 where: short stacking energy: -34.545 Base-Backbone interact. energy: -0.125 local terms energy: -47.854543 where: bonds (distance) C4'-P energy: -8.872 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -10.425 flat angles P-C4'-P energy: -7.926 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: 10, replica: 7 ===================================== Write number: 160 Temperature: 1.350000 Total energy: -77.086632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.086632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.086632 (E_RNA) where: Base-Base interactions energy: -28.497 where: short stacking energy: -21.942 Base-Backbone interact. energy: -0.115 local terms energy: -48.474766 where: bonds (distance) C4'-P energy: -13.783 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -11.862 flat angles P-C4'-P energy: -6.342 tors. eta vs tors. theta energy: -2.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 161 Temperature: 0.900000 Total energy: -202.977420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.977420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.977420 (E_RNA) where: Base-Base interactions energy: -138.240 where: short stacking energy: -63.847 Base-Backbone interact. energy: -0.047 local terms energy: -64.690725 where: bonds (distance) C4'-P energy: -13.438 bonds (distance) P-C4' energy: -12.204 flat angles C4'-P-C4' energy: -12.005 flat angles P-C4'-P energy: -7.896 tors. eta vs tors. theta energy: -19.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 161 Temperature: 0.950000 Total energy: -194.149049 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.149049 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.149049 (E_RNA) where: Base-Base interactions energy: -124.423 where: short stacking energy: -53.867 Base-Backbone interact. energy: -0.099 local terms energy: -69.626439 where: bonds (distance) C4'-P energy: -13.491 bonds (distance) P-C4' energy: -11.013 flat angles C4'-P-C4' energy: -14.961 flat angles P-C4'-P energy: -11.581 tors. eta vs tors. theta energy: -18.580 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: 3, replica: 6 ===================================== Write number: 161 Temperature: 1.000000 Total energy: -188.726640 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.726640 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.726640 (E_RNA) where: Base-Base interactions energy: -125.012 where: short stacking energy: -46.553 Base-Backbone interact. energy: -0.179 local terms energy: -63.535182 where: bonds (distance) C4'-P energy: -15.811 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -10.004 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -14.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 161 Temperature: 1.050000 Total energy: -185.068851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.068851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.068851 (E_RNA) where: Base-Base interactions energy: -118.231 where: short stacking energy: -59.932 Base-Backbone interact. energy: -0.004 local terms energy: -66.834115 where: bonds (distance) C4'-P energy: -10.380 bonds (distance) P-C4' energy: -12.124 flat angles C4'-P-C4' energy: -16.029 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -20.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 161 Temperature: 1.100000 Total energy: -182.059954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.059954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.059954 (E_RNA) where: Base-Base interactions energy: -117.166 where: short stacking energy: -50.123 Base-Backbone interact. energy: -0.432 local terms energy: -64.462065 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -10.160 flat angles P-C4'-P energy: -8.368 tors. eta vs tors. theta energy: -17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 161 Temperature: 1.150000 Total energy: -165.313457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.313457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.313457 (E_RNA) where: Base-Base interactions energy: -104.210 where: short stacking energy: -50.860 Base-Backbone interact. energy: -0.012 local terms energy: -61.091372 where: bonds (distance) C4'-P energy: -9.970 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -11.847 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: -16.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 161 Temperature: 1.200000 Total energy: -89.943858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.943858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.943858 (E_RNA) where: Base-Base interactions energy: -30.236 where: short stacking energy: -28.025 Base-Backbone interact. energy: -0.151 local terms energy: -59.556191 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -14.139 flat angles P-C4'-P energy: -9.201 tors. eta vs tors. theta energy: -7.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 161 Temperature: 1.250000 Total energy: -87.557830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.557830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.557830 (E_RNA) where: Base-Base interactions energy: -47.255 where: short stacking energy: -23.154 Base-Backbone interact. energy: -0.042 local terms energy: -40.260914 where: bonds (distance) C4'-P energy: -11.896 bonds (distance) P-C4' energy: -8.109 flat angles C4'-P-C4' energy: -5.928 flat angles P-C4'-P energy: -7.554 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: 9, replica: 8 ===================================== Write number: 161 Temperature: 1.300000 Total energy: -91.175328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.175328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.175328 (E_RNA) where: Base-Base interactions energy: -38.142 where: short stacking energy: -30.081 Base-Backbone interact. energy: -0.002 local terms energy: -53.031445 where: bonds (distance) C4'-P energy: -15.343 bonds (distance) P-C4' energy: -12.970 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -5.813 tors. eta vs tors. theta energy: -6.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 161 Temperature: 1.350000 Total energy: -70.053163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.053163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.053163 (E_RNA) where: Base-Base interactions energy: -24.763 where: short stacking energy: -22.199 Base-Backbone interact. energy: -0.259 local terms energy: -45.031352 where: bonds (distance) C4'-P energy: -13.973 bonds (distance) P-C4' energy: -11.659 flat angles C4'-P-C4' energy: -8.018 flat angles P-C4'-P energy: -10.478 tors. eta vs tors. theta energy: -0.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 162 Temperature: 0.900000 Total energy: -199.179919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.179919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.179919 (E_RNA) where: Base-Base interactions energy: -130.350 where: short stacking energy: -60.285 Base-Backbone interact. energy: -0.002 local terms energy: -68.828097 where: bonds (distance) C4'-P energy: -15.306 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -7.148 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 162 Temperature: 0.950000 Total energy: -204.162528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.162528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.162528 (E_RNA) where: Base-Base interactions energy: -133.723 where: short stacking energy: -62.502 Base-Backbone interact. energy: -0.030 local terms energy: -70.409623 where: bonds (distance) C4'-P energy: -15.865 bonds (distance) P-C4' energy: -10.860 flat angles C4'-P-C4' energy: -16.539 flat angles P-C4'-P energy: -10.404 tors. eta vs tors. theta energy: -16.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 162 Temperature: 1.000000 Total energy: -183.792054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.792054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.792054 (E_RNA) where: Base-Base interactions energy: -120.220 where: short stacking energy: -61.643 Base-Backbone interact. energy: -0.001 local terms energy: -63.570926 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -13.020 flat angles C4'-P-C4' energy: -13.719 flat angles P-C4'-P energy: -8.506 tors. eta vs tors. theta energy: -16.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 162 Temperature: 1.050000 Total energy: -190.526056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.526056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.526056 (E_RNA) where: Base-Base interactions energy: -124.457 where: short stacking energy: -58.014 Base-Backbone interact. energy: -0.370 local terms energy: -65.699474 where: bonds (distance) C4'-P energy: -10.520 bonds (distance) P-C4' energy: -12.685 flat angles C4'-P-C4' energy: -15.307 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -16.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 162 Temperature: 1.100000 Total energy: -184.951734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.951734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.951734 (E_RNA) where: Base-Base interactions energy: -124.099 where: short stacking energy: -48.368 Base-Backbone interact. energy: -0.018 local terms energy: -60.835301 where: bonds (distance) C4'-P energy: -14.046 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -10.798 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -13.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 162 Temperature: 1.150000 Total energy: -173.330536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.330536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.330536 (E_RNA) where: Base-Base interactions energy: -105.474 where: short stacking energy: -53.860 Base-Backbone interact. energy: -0.060 local terms energy: -67.796410 where: bonds (distance) C4'-P energy: -13.637 bonds (distance) P-C4' energy: -13.402 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -11.363 tors. eta vs tors. theta energy: -14.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 162 Temperature: 1.200000 Total energy: -93.267338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.267338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.267338 (E_RNA) where: Base-Base interactions energy: -34.658 where: short stacking energy: -32.718 Base-Backbone interact. energy: -0.228 local terms energy: -58.381191 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -7.477 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: 8, replica: 5 ===================================== Write number: 162 Temperature: 1.250000 Total energy: -78.553733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.553733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.553733 (E_RNA) where: Base-Base interactions energy: -32.280 where: short stacking energy: -26.638 Base-Backbone interact. energy: -0.095 local terms energy: -46.178673 where: bonds (distance) C4'-P energy: -11.274 bonds (distance) P-C4' energy: -13.839 flat angles C4'-P-C4' energy: -11.343 flat angles P-C4'-P energy: -6.890 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: 9, replica: 8 ===================================== Write number: 162 Temperature: 1.300000 Total energy: -73.187485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.187485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.187485 (E_RNA) where: Base-Base interactions energy: -27.523 where: short stacking energy: -27.393 Base-Backbone interact. energy: -0.068 local terms energy: -45.596347 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -10.406 flat angles C4'-P-C4' energy: -10.414 flat angles P-C4'-P energy: -11.890 tors. eta vs tors. theta energy: -1.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 162 Temperature: 1.350000 Total energy: -91.124656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.124656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.124656 (E_RNA) where: Base-Base interactions energy: -49.525 where: short stacking energy: -15.898 Base-Backbone interact. energy: -0.061 local terms energy: -41.538742 where: bonds (distance) C4'-P energy: -10.142 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -14.352 flat angles P-C4'-P energy: -8.838 tors. eta vs tors. theta energy: 4.620 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: 1, replica: 1 ===================================== Write number: 163 Temperature: 0.900000 Total energy: -195.257503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.257503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.257503 (E_RNA) where: Base-Base interactions energy: -126.010 where: short stacking energy: -59.922 Base-Backbone interact. energy: -0.000 local terms energy: -69.247228 where: bonds (distance) C4'-P energy: -12.462 bonds (distance) P-C4' energy: -16.111 flat angles C4'-P-C4' energy: -12.721 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -17.461 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: 2, replica: 4 ===================================== Write number: 163 Temperature: 0.950000 Total energy: -201.461611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.461611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.461611 (E_RNA) where: Base-Base interactions energy: -127.543 where: short stacking energy: -61.540 Base-Backbone interact. energy: -0.008 local terms energy: -73.910662 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -14.830 flat angles P-C4'-P energy: -11.178 tors. eta vs tors. theta energy: -18.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 163 Temperature: 1.000000 Total energy: -196.302244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.302244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.302244 (E_RNA) where: Base-Base interactions energy: -124.560 where: short stacking energy: -57.593 Base-Backbone interact. energy: -0.907 local terms energy: -70.834644 where: bonds (distance) C4'-P energy: -13.715 bonds (distance) P-C4' energy: -13.111 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -12.060 tors. eta vs tors. theta energy: -18.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 163 Temperature: 1.050000 Total energy: -196.764185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.764185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.764185 (E_RNA) where: Base-Base interactions energy: -137.000 where: short stacking energy: -63.331 Base-Backbone interact. energy: -0.002 local terms energy: -59.762016 where: bonds (distance) C4'-P energy: -10.284 bonds (distance) P-C4' energy: -10.951 flat angles C4'-P-C4' energy: -12.161 flat angles P-C4'-P energy: -8.617 tors. eta vs tors. theta energy: -17.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 163 Temperature: 1.100000 Total energy: -173.510795 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.510795 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.510795 (E_RNA) where: Base-Base interactions energy: -116.368 where: short stacking energy: -55.082 Base-Backbone interact. energy: -0.003 local terms energy: -57.139668 where: bonds (distance) C4'-P energy: -8.249 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -11.352 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -14.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 163 Temperature: 1.150000 Total energy: -168.287425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.287425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.287425 (E_RNA) where: Base-Base interactions energy: -110.980 where: short stacking energy: -51.460 Base-Backbone interact. energy: -0.106 local terms energy: -57.200982 where: bonds (distance) C4'-P energy: -13.546 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -14.780 flat angles P-C4'-P energy: -5.540 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: 7, replica: 2 ===================================== Write number: 163 Temperature: 1.200000 Total energy: -82.811532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.811532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.811532 (E_RNA) where: Base-Base interactions energy: -29.737 where: short stacking energy: -29.737 Base-Backbone interact. energy: -0.011 local terms energy: -53.063183 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -11.470 flat angles P-C4'-P energy: -7.229 tors. eta vs tors. theta energy: -6.429 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: 8, replica: 5 ===================================== Write number: 163 Temperature: 1.250000 Total energy: -87.467069 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.467069 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.467069 (E_RNA) where: Base-Base interactions energy: -28.980 where: short stacking energy: -28.980 Base-Backbone interact. energy: -0.001 local terms energy: -58.485837 where: bonds (distance) C4'-P energy: -13.626 bonds (distance) P-C4' energy: -16.594 flat angles C4'-P-C4' energy: -13.524 flat angles P-C4'-P energy: -6.419 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: 9, replica: 8 ===================================== Write number: 163 Temperature: 1.300000 Total energy: -74.229204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.229204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.229204 (E_RNA) where: Base-Base interactions energy: -30.703 where: short stacking energy: -30.801 Base-Backbone interact. energy: -0.046 local terms energy: -43.480181 where: bonds (distance) C4'-P energy: -10.391 bonds (distance) P-C4' energy: -10.431 flat angles C4'-P-C4' energy: -11.779 flat angles P-C4'-P energy: -7.922 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: 10, replica: 7 ===================================== Write number: 163 Temperature: 1.350000 Total energy: -92.154492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.154492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.154492 (E_RNA) where: Base-Base interactions energy: -50.503 where: short stacking energy: -26.490 Base-Backbone interact. energy: -0.025 local terms energy: -41.625938 where: bonds (distance) C4'-P energy: -11.712 bonds (distance) P-C4' energy: -11.512 flat angles C4'-P-C4' energy: -10.362 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -1.809 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 164 Temperature: 0.900000 Total energy: -204.013207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.013207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.013207 (E_RNA) where: Base-Base interactions energy: -139.529 where: short stacking energy: -65.207 Base-Backbone interact. energy: -0.032 local terms energy: -64.451785 where: bonds (distance) C4'-P energy: -13.042 bonds (distance) P-C4' energy: -10.950 flat angles C4'-P-C4' energy: -13.746 flat angles P-C4'-P energy: -6.899 tors. eta vs tors. theta energy: -19.816 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: 1 ===================================== Write number: 164 Temperature: 0.950000 Total energy: -194.340987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.340987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.340987 (E_RNA) where: Base-Base interactions energy: -120.770 where: short stacking energy: -65.831 Base-Backbone interact. energy: -0.135 local terms energy: -73.435837 where: bonds (distance) C4'-P energy: -13.373 bonds (distance) P-C4' energy: -16.147 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -11.241 tors. eta vs tors. theta energy: -18.317 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 164 Temperature: 1.000000 Total energy: -210.057784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.057784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.057784 (E_RNA) where: Base-Base interactions energy: -140.016 where: short stacking energy: -66.341 Base-Backbone interact. energy: -0.014 local terms energy: -70.027861 where: bonds (distance) C4'-P energy: -14.171 bonds (distance) P-C4' energy: -16.657 flat angles C4'-P-C4' energy: -14.374 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -15.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 164 Temperature: 1.050000 Total energy: -185.424106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.424106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.424106 (E_RNA) where: Base-Base interactions energy: -119.355 where: short stacking energy: -51.283 Base-Backbone interact. energy: -0.020 local terms energy: -66.049182 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -13.860 flat angles C4'-P-C4' energy: -14.204 flat angles P-C4'-P energy: -7.305 tors. eta vs tors. theta energy: -15.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 164 Temperature: 1.100000 Total energy: -162.881932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.881932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.881932 (E_RNA) where: Base-Base interactions energy: -108.282 where: short stacking energy: -50.565 Base-Backbone interact. energy: -0.099 local terms energy: -54.500871 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -4.781 flat angles C4'-P-C4' energy: -14.032 flat angles P-C4'-P energy: -9.121 tors. eta vs tors. theta energy: -11.654 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: 3 ===================================== Write number: 164 Temperature: 1.150000 Total energy: -172.905087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.905087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.905087 (E_RNA) where: Base-Base interactions energy: -111.843 where: short stacking energy: -51.866 Base-Backbone interact. energy: -0.098 local terms energy: -60.964347 where: bonds (distance) C4'-P energy: -9.568 bonds (distance) P-C4' energy: -17.151 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -5.023 tors. eta vs tors. theta energy: -17.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 164 Temperature: 1.200000 Total energy: -90.977999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.977999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.977999 (E_RNA) where: Base-Base interactions energy: -34.298 where: short stacking energy: -32.802 Base-Backbone interact. energy: -0.074 local terms energy: -56.605754 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -13.616 flat angles C4'-P-C4' energy: -10.997 flat angles P-C4'-P energy: -9.998 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: 8, replica: 2 ===================================== Write number: 164 Temperature: 1.250000 Total energy: -74.813241 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.813241 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.813241 (E_RNA) where: Base-Base interactions energy: -30.383 where: short stacking energy: -29.069 Base-Backbone interact. energy: 1.275 local terms energy: -45.705126 where: bonds (distance) C4'-P energy: -12.525 bonds (distance) P-C4' energy: -14.963 flat angles C4'-P-C4' energy: -11.902 flat angles P-C4'-P energy: -6.341 tors. eta vs tors. theta energy: 0.026 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: 9, replica: 7 ===================================== Write number: 164 Temperature: 1.300000 Total energy: -83.898565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.898565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.898565 (E_RNA) where: Base-Base interactions energy: -51.850 where: short stacking energy: -32.302 Base-Backbone interact. energy: 3.044 local terms energy: -35.091754 where: bonds (distance) C4'-P energy: -9.505 bonds (distance) P-C4' energy: -6.291 flat angles C4'-P-C4' energy: -6.974 flat angles P-C4'-P energy: -9.627 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: 10, replica: 8 ===================================== Write number: 164 Temperature: 1.350000 Total energy: -78.862521 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.862521 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.862521 (E_RNA) where: Base-Base interactions energy: -25.816 where: short stacking energy: -25.816 Base-Backbone interact. energy: -0.054 local terms energy: -52.992079 where: bonds (distance) C4'-P energy: -10.066 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -11.980 flat angles P-C4'-P energy: -9.025 tors. eta vs tors. theta energy: -7.967 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 165 Temperature: 0.900000 Total energy: -208.537967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.537967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.537967 (E_RNA) where: Base-Base interactions energy: -131.410 where: short stacking energy: -63.875 Base-Backbone interact. energy: -0.001 local terms energy: -77.126377 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -15.600 flat angles C4'-P-C4' energy: -13.609 flat angles P-C4'-P energy: -14.496 tors. eta vs tors. theta energy: -17.433 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: 1 ===================================== Write number: 165 Temperature: 0.950000 Total energy: -195.789272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.789272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.789272 (E_RNA) where: Base-Base interactions energy: -128.113 where: short stacking energy: -67.300 Base-Backbone interact. energy: 0.256 local terms energy: -67.931708 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -13.267 flat angles P-C4'-P energy: -11.076 tors. eta vs tors. theta energy: -18.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 165 Temperature: 1.000000 Total energy: -202.778660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.778660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.778660 (E_RNA) where: Base-Base interactions energy: -136.191 where: short stacking energy: -59.793 Base-Backbone interact. energy: -0.023 local terms energy: -66.565380 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -13.213 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -12.730 tors. eta vs tors. theta energy: -17.138 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 165 Temperature: 1.050000 Total energy: -178.610132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.610132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.610132 (E_RNA) where: Base-Base interactions energy: -115.042 where: short stacking energy: -52.856 Base-Backbone interact. energy: -0.260 local terms energy: -63.307889 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -15.594 flat angles C4'-P-C4' energy: -12.685 flat angles P-C4'-P energy: -7.575 tors. eta vs tors. theta energy: -13.010 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: 10 ===================================== Write number: 165 Temperature: 1.100000 Total energy: -165.907729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.907729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.907729 (E_RNA) where: Base-Base interactions energy: -105.042 where: short stacking energy: -45.970 Base-Backbone interact. energy: -0.085 local terms energy: -60.780834 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -13.209 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -5.838 tors. eta vs tors. theta energy: -13.054 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: 165 Temperature: 1.150000 Total energy: -168.245286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.245286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.245286 (E_RNA) where: Base-Base interactions energy: -102.763 where: short stacking energy: -44.893 Base-Backbone interact. energy: -0.390 local terms energy: -65.091845 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -13.395 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -14.358 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: 5 ===================================== Write number: 165 Temperature: 1.200000 Total energy: -121.950911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.950911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.950911 (E_RNA) where: Base-Base interactions energy: -67.226 where: short stacking energy: -33.436 Base-Backbone interact. energy: -0.487 local terms energy: -54.237432 where: bonds (distance) C4'-P energy: -12.279 bonds (distance) P-C4' energy: -13.725 flat angles C4'-P-C4' energy: -13.430 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 165 Temperature: 1.250000 Total energy: -85.832733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.832733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.832733 (E_RNA) where: Base-Base interactions energy: -36.097 where: short stacking energy: -33.591 Base-Backbone interact. energy: -0.031 local terms energy: -49.704069 where: bonds (distance) C4'-P energy: -12.088 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -9.529 flat angles P-C4'-P energy: -11.176 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: 2 ===================================== Write number: 165 Temperature: 1.300000 Total energy: -65.833414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.833414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.833414 (E_RNA) where: Base-Base interactions energy: -16.670 where: short stacking energy: -16.770 Base-Backbone interact. energy: 0.169 local terms energy: -49.332745 where: bonds (distance) C4'-P energy: -15.575 bonds (distance) P-C4' energy: -14.851 flat angles C4'-P-C4' energy: -9.986 flat angles P-C4'-P energy: -7.084 tors. eta vs tors. theta energy: -1.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 165 Temperature: 1.350000 Total energy: -88.592122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.592122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.592122 (E_RNA) where: Base-Base interactions energy: -41.147 where: short stacking energy: -32.284 Base-Backbone interact. energy: 0.375 local terms energy: -47.820324 where: bonds (distance) C4'-P energy: -11.509 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -10.841 flat angles P-C4'-P energy: -8.122 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: 1, replica: 4 ===================================== Write number: 166 Temperature: 0.900000 Total energy: -209.898666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.898666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.898666 (E_RNA) where: Base-Base interactions energy: -132.353 where: short stacking energy: -68.237 Base-Backbone interact. energy: -0.006 local terms energy: -77.539233 where: bonds (distance) C4'-P energy: -12.798 bonds (distance) P-C4' energy: -17.059 flat angles C4'-P-C4' energy: -16.167 flat angles P-C4'-P energy: -12.594 tors. eta vs tors. theta energy: -18.921 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 166 Temperature: 0.950000 Total energy: -194.948794 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.948794 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.948794 (E_RNA) where: Base-Base interactions energy: -128.550 where: short stacking energy: -60.778 Base-Backbone interact. energy: 1.066 local terms energy: -67.464797 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -17.591 flat angles C4'-P-C4' energy: -13.679 flat angles P-C4'-P energy: -5.447 tors. eta vs tors. theta energy: -16.811 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: 9 ===================================== Write number: 166 Temperature: 1.000000 Total energy: -200.195086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.195086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.195086 (E_RNA) where: Base-Base interactions energy: -126.672 where: short stacking energy: -62.923 Base-Backbone interact. energy: -0.012 local terms energy: -73.511348 where: bonds (distance) C4'-P energy: -14.321 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -15.590 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -19.180 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: 6 ===================================== Write number: 166 Temperature: 1.050000 Total energy: -178.261252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.261252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.261252 (E_RNA) where: Base-Base interactions energy: -115.535 where: short stacking energy: -53.338 Base-Backbone interact. energy: -0.219 local terms energy: -62.507763 where: bonds (distance) C4'-P energy: -14.991 bonds (distance) P-C4' energy: -11.582 flat angles C4'-P-C4' energy: -13.103 flat angles P-C4'-P energy: -9.239 tors. eta vs tors. theta energy: -13.594 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: 5, replica: 3 ===================================== Write number: 166 Temperature: 1.100000 Total energy: -164.973605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.973605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.973605 (E_RNA) where: Base-Base interactions energy: -98.617 where: short stacking energy: -50.119 Base-Backbone interact. energy: -0.999 local terms energy: -65.357578 where: bonds (distance) C4'-P energy: -15.671 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -13.393 flat angles P-C4'-P energy: -7.499 tors. eta vs tors. theta energy: -14.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 166 Temperature: 1.150000 Total energy: -160.688112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.688112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.688112 (E_RNA) where: Base-Base interactions energy: -104.474 where: short stacking energy: -45.271 Base-Backbone interact. energy: -0.100 local terms energy: -56.113879 where: bonds (distance) C4'-P energy: -9.319 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -14.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 166 Temperature: 1.200000 Total energy: -110.117790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.117790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.117790 (E_RNA) where: Base-Base interactions energy: -67.169 where: short stacking energy: -35.914 Base-Backbone interact. energy: -0.089 local terms energy: -42.860024 where: bonds (distance) C4'-P energy: -10.425 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -8.461 flat angles P-C4'-P energy: -6.124 tors. eta vs tors. theta energy: -1.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 166 Temperature: 1.250000 Total energy: -78.903308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.903308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.903308 (E_RNA) where: Base-Base interactions energy: -26.874 where: short stacking energy: -27.174 Base-Backbone interact. energy: -0.202 local terms energy: -51.827543 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -9.801 flat angles P-C4'-P energy: -9.231 tors. eta vs tors. theta energy: -3.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 166 Temperature: 1.300000 Total energy: -83.892002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.892002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.892002 (E_RNA) where: Base-Base interactions energy: -44.479 where: short stacking energy: -15.704 Base-Backbone interact. energy: -0.855 local terms energy: -38.557768 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -15.376 flat angles C4'-P-C4' energy: -6.361 flat angles P-C4'-P energy: -10.639 tors. eta vs tors. theta energy: 1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 166 Temperature: 1.350000 Total energy: -67.909679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.909679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.909679 (E_RNA) where: Base-Base interactions energy: -25.080 where: short stacking energy: -24.362 Base-Backbone interact. energy: -0.596 local terms energy: -42.233634 where: bonds (distance) C4'-P energy: -14.830 bonds (distance) P-C4' energy: -8.821 flat angles C4'-P-C4' energy: -10.676 flat angles P-C4'-P energy: -7.884 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: 1, replica: 4 ===================================== Write number: 167 Temperature: 0.900000 Total energy: -195.406153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.406153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.406153 (E_RNA) where: Base-Base interactions energy: -130.239 where: short stacking energy: -54.508 Base-Backbone interact. energy: -0.001 local terms energy: -65.165993 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -10.164 flat angles P-C4'-P energy: -7.377 tors. eta vs tors. theta energy: -18.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 167 Temperature: 0.950000 Total energy: -200.474768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.474768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.474768 (E_RNA) where: Base-Base interactions energy: -135.635 where: short stacking energy: -61.199 Base-Backbone interact. energy: -0.000 local terms energy: -64.839634 where: bonds (distance) C4'-P energy: -11.192 bonds (distance) P-C4' energy: -13.526 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -9.628 tors. eta vs tors. theta energy: -16.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 167 Temperature: 1.000000 Total energy: -183.640076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.640076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.640076 (E_RNA) where: Base-Base interactions energy: -127.100 where: short stacking energy: -54.082 Base-Backbone interact. energy: -0.138 local terms energy: -56.401891 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -12.075 flat angles C4'-P-C4' energy: -10.636 flat angles P-C4'-P energy: -11.343 tors. eta vs tors. theta energy: -11.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 167 Temperature: 1.050000 Total energy: -180.098775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.098775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.098775 (E_RNA) where: Base-Base interactions energy: -111.254 where: short stacking energy: -56.419 Base-Backbone interact. energy: -0.079 local terms energy: -68.765754 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -14.834 flat angles C4'-P-C4' energy: -13.087 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -18.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 167 Temperature: 1.100000 Total energy: -156.558248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.558248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.558248 (E_RNA) where: Base-Base interactions energy: -103.600 where: short stacking energy: -43.608 Base-Backbone interact. energy: -0.229 local terms energy: -52.729617 where: bonds (distance) C4'-P energy: -8.728 bonds (distance) P-C4' energy: -15.202 flat angles C4'-P-C4' energy: -11.936 flat angles P-C4'-P energy: -6.063 tors. eta vs tors. theta energy: -10.800 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: 167 Temperature: 1.150000 Total energy: -169.519073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.519073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.519073 (E_RNA) where: Base-Base interactions energy: -112.784 where: short stacking energy: -54.574 Base-Backbone interact. energy: -0.043 local terms energy: -56.691235 where: bonds (distance) C4'-P energy: -10.210 bonds (distance) P-C4' energy: -13.961 flat angles C4'-P-C4' energy: -8.551 flat angles P-C4'-P energy: -9.349 tors. eta vs tors. theta energy: -14.620 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: 7, replica: 5 ===================================== Write number: 167 Temperature: 1.200000 Total energy: -86.457029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.457029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.457029 (E_RNA) where: Base-Base interactions energy: -42.402 where: short stacking energy: -42.402 Base-Backbone interact. energy: -0.034 local terms energy: -44.021754 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -8.869 flat angles C4'-P-C4' energy: -11.471 flat angles P-C4'-P energy: -1.462 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: 8, replica: 7 ===================================== Write number: 167 Temperature: 1.250000 Total energy: -87.189881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.189881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.189881 (E_RNA) where: Base-Base interactions energy: -34.951 where: short stacking energy: -33.185 Base-Backbone interact. energy: -0.116 local terms energy: -52.123332 where: bonds (distance) C4'-P energy: -7.820 bonds (distance) P-C4' energy: -11.933 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 167 Temperature: 1.300000 Total energy: -70.532423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.532423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.532423 (E_RNA) where: Base-Base interactions energy: -31.957 where: short stacking energy: -28.378 Base-Backbone interact. energy: 1.240 local terms energy: -39.814958 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -10.448 flat angles C4'-P-C4' energy: -11.046 flat angles P-C4'-P energy: -6.851 tors. eta vs tors. theta energy: -0.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 167 Temperature: 1.350000 Total energy: -67.189295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.189295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.189295 (E_RNA) where: Base-Base interactions energy: -26.045 where: short stacking energy: -18.755 Base-Backbone interact. energy: -0.699 local terms energy: -40.445006 where: bonds (distance) C4'-P energy: -10.089 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -8.968 flat angles P-C4'-P energy: -8.203 tors. eta vs tors. theta energy: -0.765 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: 1, replica: 9 ===================================== Write number: 168 Temperature: 0.900000 Total energy: -216.343165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.343165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.343165 (E_RNA) where: Base-Base interactions energy: -144.160 where: short stacking energy: -65.785 Base-Backbone interact. energy: -0.010 local terms energy: -72.174009 where: bonds (distance) C4'-P energy: -13.762 bonds (distance) P-C4' energy: -16.168 flat angles C4'-P-C4' energy: -15.744 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -17.041 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: 4 ===================================== Write number: 168 Temperature: 0.950000 Total energy: -196.386200 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.386200 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.386200 (E_RNA) where: Base-Base interactions energy: -130.135 where: short stacking energy: -54.836 Base-Backbone interact. energy: -0.032 local terms energy: -66.219086 where: bonds (distance) C4'-P energy: -14.220 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -14.867 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -12.932 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: 6 ===================================== Write number: 168 Temperature: 1.000000 Total energy: -184.959932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.959932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.959932 (E_RNA) where: Base-Base interactions energy: -116.785 where: short stacking energy: -61.005 Base-Backbone interact. energy: -0.446 local terms energy: -67.728421 where: bonds (distance) C4'-P energy: -12.540 bonds (distance) P-C4' energy: -15.262 flat angles C4'-P-C4' energy: -12.424 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: -17.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 168 Temperature: 1.050000 Total energy: -196.078318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.078318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.078318 (E_RNA) where: Base-Base interactions energy: -130.576 where: short stacking energy: -58.117 Base-Backbone interact. energy: -0.004 local terms energy: -65.498023 where: bonds (distance) C4'-P energy: -12.333 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -6.168 tors. eta vs tors. theta energy: -17.812 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 168 Temperature: 1.100000 Total energy: -176.437394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.437394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.437394 (E_RNA) where: Base-Base interactions energy: -112.539 where: short stacking energy: -53.952 Base-Backbone interact. energy: -0.015 local terms energy: -63.883987 where: bonds (distance) C4'-P energy: -15.607 bonds (distance) P-C4' energy: -13.006 flat angles C4'-P-C4' energy: -15.015 flat angles P-C4'-P energy: -6.861 tors. eta vs tors. theta energy: -13.394 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: 168 Temperature: 1.150000 Total energy: -159.922882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.922882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.922882 (E_RNA) where: Base-Base interactions energy: -105.051 where: short stacking energy: -46.738 Base-Backbone interact. energy: -0.057 local terms energy: -54.814991 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -9.260 flat angles C4'-P-C4' energy: -14.010 flat angles P-C4'-P energy: -7.707 tors. eta vs tors. theta energy: -10.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 168 Temperature: 1.200000 Total energy: -99.746702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.746702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.746702 (E_RNA) where: Base-Base interactions energy: -38.166 where: short stacking energy: -34.806 Base-Backbone interact. energy: -0.001 local terms energy: -61.580133 where: bonds (distance) C4'-P energy: -14.684 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -14.660 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -9.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 168 Temperature: 1.250000 Total energy: -82.235730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.235730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.235730 (E_RNA) where: Base-Base interactions energy: -43.218 where: short stacking energy: -30.944 Base-Backbone interact. energy: -0.034 local terms energy: -38.984210 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -11.746 flat angles C4'-P-C4' energy: -9.348 flat angles P-C4'-P energy: -6.482 tors. eta vs tors. theta energy: -4.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 168 Temperature: 1.300000 Total energy: -85.477573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.477573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.477573 (E_RNA) where: Base-Base interactions energy: -39.127 where: short stacking energy: -27.007 Base-Backbone interact. energy: -0.127 local terms energy: -46.223517 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: -2.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 168 Temperature: 1.350000 Total energy: -73.448397 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.448397 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.448397 (E_RNA) where: Base-Base interactions energy: -22.889 where: short stacking energy: -23.005 Base-Backbone interact. energy: 0.056 local terms energy: -50.615240 where: bonds (distance) C4'-P energy: -11.948 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -11.023 flat angles P-C4'-P energy: -11.060 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: 9 ===================================== Write number: 169 Temperature: 0.900000 Total energy: -204.090091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.090091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.090091 (E_RNA) where: Base-Base interactions energy: -137.893 where: short stacking energy: -62.723 Base-Backbone interact. energy: -0.001 local terms energy: -66.195805 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -15.994 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -16.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 169 Temperature: 0.950000 Total energy: -196.422612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.422612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.422612 (E_RNA) where: Base-Base interactions energy: -129.892 where: short stacking energy: -65.079 Base-Backbone interact. energy: -0.051 local terms energy: -66.479631 where: bonds (distance) C4'-P energy: -13.286 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -13.844 flat angles P-C4'-P energy: -7.847 tors. eta vs tors. theta energy: -16.474 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: 6 ===================================== Write number: 169 Temperature: 1.000000 Total energy: -187.856317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.856317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.856317 (E_RNA) where: Base-Base interactions energy: -119.602 where: short stacking energy: -51.059 Base-Backbone interact. energy: -0.002 local terms energy: -68.252595 where: bonds (distance) C4'-P energy: -15.049 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -12.120 flat angles P-C4'-P energy: -12.530 tors. eta vs tors. theta energy: -15.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 169 Temperature: 1.050000 Total energy: -168.028314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.028314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.028314 (E_RNA) where: Base-Base interactions energy: -108.377 where: short stacking energy: -50.841 Base-Backbone interact. energy: -0.354 local terms energy: -59.297096 where: bonds (distance) C4'-P energy: -14.245 bonds (distance) P-C4' energy: -10.520 flat angles C4'-P-C4' energy: -13.447 flat angles P-C4'-P energy: -8.818 tors. eta vs tors. theta energy: -12.266 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 169 Temperature: 1.100000 Total energy: -167.652870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.652870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.652870 (E_RNA) where: Base-Base interactions energy: -106.029 where: short stacking energy: -44.822 Base-Backbone interact. energy: 0.052 local terms energy: -61.675172 where: bonds (distance) C4'-P energy: -12.579 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -12.816 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -13.514 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: 3 ===================================== Write number: 169 Temperature: 1.150000 Total energy: -173.078842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.078842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.078842 (E_RNA) where: Base-Base interactions energy: -115.364 where: short stacking energy: -46.254 Base-Backbone interact. energy: -0.092 local terms energy: -57.622632 where: bonds (distance) C4'-P energy: -9.944 bonds (distance) P-C4' energy: -14.169 flat angles C4'-P-C4' energy: -14.943 flat angles P-C4'-P energy: -6.044 tors. eta vs tors. theta energy: -12.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 169 Temperature: 1.200000 Total energy: -91.266618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.266618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.266618 (E_RNA) where: Base-Base interactions energy: -43.525 where: short stacking energy: -43.508 Base-Backbone interact. energy: -0.387 local terms energy: -47.354626 where: bonds (distance) C4'-P energy: -8.106 bonds (distance) P-C4' energy: -10.662 flat angles C4'-P-C4' energy: -13.352 flat angles P-C4'-P energy: -8.847 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: 8, replica: 2 ===================================== Write number: 169 Temperature: 1.250000 Total energy: -77.572045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.572045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.572045 (E_RNA) where: Base-Base interactions energy: -29.133 where: short stacking energy: -29.133 Base-Backbone interact. energy: -0.088 local terms energy: -48.350835 where: bonds (distance) C4'-P energy: -13.102 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -10.578 flat angles P-C4'-P energy: -2.519 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: 9, replica: 5 ===================================== Write number: 169 Temperature: 1.300000 Total energy: -78.846851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.846851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.846851 (E_RNA) where: Base-Base interactions energy: -28.776 where: short stacking energy: -28.776 Base-Backbone interact. energy: -0.111 local terms energy: -49.960032 where: bonds (distance) C4'-P energy: -13.853 bonds (distance) P-C4' energy: -8.568 flat angles C4'-P-C4' energy: -11.276 flat angles P-C4'-P energy: -10.792 tors. eta vs tors. theta energy: -5.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 169 Temperature: 1.350000 Total energy: -73.688370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.688370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.688370 (E_RNA) where: Base-Base interactions energy: -30.705 where: short stacking energy: -29.665 Base-Backbone interact. energy: -0.074 local terms energy: -42.909596 where: bonds (distance) C4'-P energy: -8.123 bonds (distance) P-C4' energy: -11.961 flat angles C4'-P-C4' energy: -12.942 flat angles P-C4'-P energy: -6.642 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: 1, replica: 4 ===================================== Write number: 170 Temperature: 0.900000 Total energy: -202.295319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.295319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.295319 (E_RNA) where: Base-Base interactions energy: -135.187 where: short stacking energy: -65.460 Base-Backbone interact. energy: -0.025 local terms energy: -67.083134 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -10.091 flat angles C4'-P-C4' energy: -13.840 flat angles P-C4'-P energy: -12.755 tors. eta vs tors. theta energy: -17.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 170 Temperature: 0.950000 Total energy: -200.981809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.981809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.981809 (E_RNA) where: Base-Base interactions energy: -130.991 where: short stacking energy: -55.186 Base-Backbone interact. energy: 0.092 local terms energy: -70.082623 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -15.677 flat angles C4'-P-C4' energy: -16.345 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -15.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 170 Temperature: 1.000000 Total energy: -182.885501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.885501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.885501 (E_RNA) where: Base-Base interactions energy: -113.390 where: short stacking energy: -53.097 Base-Backbone interact. energy: -0.011 local terms energy: -69.484182 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -15.708 flat angles P-C4'-P energy: -11.649 tors. eta vs tors. theta energy: -15.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 170 Temperature: 1.050000 Total energy: -181.888072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.888072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.888072 (E_RNA) where: Base-Base interactions energy: -120.259 where: short stacking energy: -53.974 Base-Backbone interact. energy: 0.314 local terms energy: -61.942803 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -10.971 flat angles P-C4'-P energy: -13.189 tors. eta vs tors. theta energy: -12.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 170 Temperature: 1.100000 Total energy: -178.995919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.995919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.995919 (E_RNA) where: Base-Base interactions energy: -115.631 where: short stacking energy: -49.982 Base-Backbone interact. energy: -0.054 local terms energy: -63.310366 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -9.927 flat angles C4'-P-C4' energy: -15.878 flat angles P-C4'-P energy: -9.170 tors. eta vs tors. theta energy: -15.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 170 Temperature: 1.150000 Total energy: -161.160533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.160533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.160533 (E_RNA) where: Base-Base interactions energy: -101.366 where: short stacking energy: -52.966 Base-Backbone interact. energy: -0.016 local terms energy: -59.778807 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -13.796 flat angles C4'-P-C4' energy: -13.476 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -16.062 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: 170 Temperature: 1.200000 Total energy: -96.359156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.359156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.359156 (E_RNA) where: Base-Base interactions energy: -39.738 where: short stacking energy: -30.509 Base-Backbone interact. energy: -0.266 local terms energy: -56.355304 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -11.461 flat angles C4'-P-C4' energy: -12.440 flat angles P-C4'-P energy: -9.514 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: 8, replica: 2 ===================================== Write number: 170 Temperature: 1.250000 Total energy: -81.586696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.586696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.586696 (E_RNA) where: Base-Base interactions energy: -31.216 where: short stacking energy: -31.216 Base-Backbone interact. energy: -0.049 local terms energy: -50.321511 where: bonds (distance) C4'-P energy: -9.175 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -13.984 flat angles P-C4'-P energy: -7.610 tors. eta vs tors. theta energy: -4.987 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 170 Temperature: 1.300000 Total energy: -86.624641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.624641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.624641 (E_RNA) where: Base-Base interactions energy: -29.542 where: short stacking energy: -21.927 Base-Backbone interact. energy: 0.382 local terms energy: -57.464136 where: bonds (distance) C4'-P energy: -14.715 bonds (distance) P-C4' energy: -15.073 flat angles C4'-P-C4' energy: -15.338 flat angles P-C4'-P energy: -10.312 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: 5 ===================================== Write number: 170 Temperature: 1.350000 Total energy: -70.494041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.494041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.494041 (E_RNA) where: Base-Base interactions energy: -30.530 where: short stacking energy: -28.068 Base-Backbone interact. energy: -1.101 local terms energy: -38.863280 where: bonds (distance) C4'-P energy: -9.750 bonds (distance) P-C4' energy: -12.856 flat angles C4'-P-C4' energy: -8.270 flat angles P-C4'-P energy: -4.345 tors. eta vs tors. theta energy: -3.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 171 Temperature: 0.900000 Total energy: -195.343247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.343247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.343247 (E_RNA) where: Base-Base interactions energy: -128.029 where: short stacking energy: -53.388 Base-Backbone interact. energy: 0.655 local terms energy: -67.969004 where: bonds (distance) C4'-P energy: -12.667 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -16.122 flat angles P-C4'-P energy: -8.142 tors. eta vs tors. theta energy: -15.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 171 Temperature: 0.950000 Total energy: -203.643075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.643075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.643075 (E_RNA) where: Base-Base interactions energy: -133.553 where: short stacking energy: -54.360 Base-Backbone interact. energy: -0.001 local terms energy: -70.089329 where: bonds (distance) C4'-P energy: -12.656 bonds (distance) P-C4' energy: -16.650 flat angles C4'-P-C4' energy: -11.791 flat angles P-C4'-P energy: -12.035 tors. eta vs tors. theta energy: -16.957 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 171 Temperature: 1.000000 Total energy: -178.236876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.236876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.236876 (E_RNA) where: Base-Base interactions energy: -109.310 where: short stacking energy: -53.859 Base-Backbone interact. energy: -1.101 local terms energy: -67.825724 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -16.672 flat angles C4'-P-C4' energy: -14.326 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -15.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 171 Temperature: 1.050000 Total energy: -181.320595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.320595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.320595 (E_RNA) where: Base-Base interactions energy: -116.516 where: short stacking energy: -61.506 Base-Backbone interact. energy: -1.363 local terms energy: -63.441942 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -11.046 flat angles C4'-P-C4' energy: -13.864 flat angles P-C4'-P energy: -7.580 tors. eta vs tors. theta energy: -18.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 171 Temperature: 1.100000 Total energy: -168.580898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.580898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.580898 (E_RNA) where: Base-Base interactions energy: -114.440 where: short stacking energy: -55.211 Base-Backbone interact. energy: -0.152 local terms energy: -53.988129 where: bonds (distance) C4'-P energy: -9.712 bonds (distance) P-C4' energy: -11.074 flat angles C4'-P-C4' energy: -10.784 flat angles P-C4'-P energy: -7.914 tors. eta vs tors. theta energy: -14.503 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: 3 ===================================== Write number: 171 Temperature: 1.150000 Total energy: -180.132201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.132201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.132201 (E_RNA) where: Base-Base interactions energy: -117.536 where: short stacking energy: -52.742 Base-Backbone interact. energy: -0.029 local terms energy: -62.567400 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -15.685 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -12.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 171 Temperature: 1.200000 Total energy: -85.396163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.396163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.396163 (E_RNA) where: Base-Base interactions energy: -36.932 where: short stacking energy: -34.301 Base-Backbone interact. energy: -0.122 local terms energy: -48.342178 where: bonds (distance) C4'-P energy: -12.933 bonds (distance) P-C4' energy: -14.142 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -5.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 171 Temperature: 1.250000 Total energy: -75.122953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.122953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.122953 (E_RNA) where: Base-Base interactions energy: -32.114 where: short stacking energy: -19.868 Base-Backbone interact. energy: 3.916 local terms energy: -46.925056 where: bonds (distance) C4'-P energy: -11.832 bonds (distance) P-C4' energy: -9.706 flat angles C4'-P-C4' energy: -12.430 flat angles P-C4'-P energy: -8.458 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: 2 ===================================== Write number: 171 Temperature: 1.300000 Total energy: -79.675923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.675923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.675923 (E_RNA) where: Base-Base interactions energy: -30.321 where: short stacking energy: -29.264 Base-Backbone interact. energy: -0.522 local terms energy: -48.832968 where: bonds (distance) C4'-P energy: -8.644 bonds (distance) P-C4' energy: -14.910 flat angles C4'-P-C4' energy: -11.593 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 171 Temperature: 1.350000 Total energy: -68.939821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.939821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.939821 (E_RNA) where: Base-Base interactions energy: -27.364 where: short stacking energy: -27.364 Base-Backbone interact. energy: 0.669 local terms energy: -42.245218 where: bonds (distance) C4'-P energy: -13.182 bonds (distance) P-C4' energy: -13.068 flat angles C4'-P-C4' energy: -8.843 flat angles P-C4'-P energy: -5.009 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: 1, replica: 9 ===================================== Write number: 172 Temperature: 0.900000 Total energy: -200.963813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.963813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.963813 (E_RNA) where: Base-Base interactions energy: -131.785 where: short stacking energy: -57.112 Base-Backbone interact. energy: -0.467 local terms energy: -68.712016 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -13.985 flat angles C4'-P-C4' energy: -16.614 flat angles P-C4'-P energy: -8.205 tors. eta vs tors. theta energy: -16.609 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: 2, replica: 4 ===================================== Write number: 172 Temperature: 0.950000 Total energy: -205.084843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.084843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.084843 (E_RNA) where: Base-Base interactions energy: -134.336 where: short stacking energy: -56.375 Base-Backbone interact. energy: -0.085 local terms energy: -70.663404 where: bonds (distance) C4'-P energy: -13.162 bonds (distance) P-C4' energy: -14.895 flat angles C4'-P-C4' energy: -15.122 flat angles P-C4'-P energy: -10.557 tors. eta vs tors. theta energy: -16.927 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 172 Temperature: 1.000000 Total energy: -186.113056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.113056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.113056 (E_RNA) where: Base-Base interactions energy: -118.589 where: short stacking energy: -44.453 Base-Backbone interact. energy: 0.276 local terms energy: -67.799554 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -14.724 flat angles P-C4'-P energy: -11.150 tors. eta vs tors. theta energy: -12.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 172 Temperature: 1.050000 Total energy: -180.700198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.700198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.700198 (E_RNA) where: Base-Base interactions energy: -114.757 where: short stacking energy: -56.261 Base-Backbone interact. energy: 0.136 local terms energy: -66.079820 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -12.540 flat angles C4'-P-C4' energy: -10.992 flat angles P-C4'-P energy: -12.591 tors. eta vs tors. theta energy: -16.070 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: 3 ===================================== Write number: 172 Temperature: 1.100000 Total energy: -164.970778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.970778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.970778 (E_RNA) where: Base-Base interactions energy: -105.652 where: short stacking energy: -55.548 Base-Backbone interact. energy: -0.499 local terms energy: -58.819889 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -11.143 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -9.519 tors. eta vs tors. theta energy: -10.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 172 Temperature: 1.150000 Total energy: -162.044987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.044987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.044987 (E_RNA) where: Base-Base interactions energy: -106.095 where: short stacking energy: -40.437 Base-Backbone interact. energy: -0.068 local terms energy: -55.882270 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -12.838 flat angles C4'-P-C4' energy: -9.131 flat angles P-C4'-P energy: -6.961 tors. eta vs tors. theta energy: -13.796 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: 172 Temperature: 1.200000 Total energy: -78.704237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.704237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.704237 (E_RNA) where: Base-Base interactions energy: -30.273 where: short stacking energy: -27.860 Base-Backbone interact. energy: -0.120 local terms energy: -48.310973 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -13.556 flat angles P-C4'-P energy: -4.237 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: 8, replica: 7 ===================================== Write number: 172 Temperature: 1.250000 Total energy: -81.377802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.377802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.377802 (E_RNA) where: Base-Base interactions energy: -33.455 where: short stacking energy: -33.455 Base-Backbone interact. energy: -0.034 local terms energy: -47.889486 where: bonds (distance) C4'-P energy: -7.176 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -11.150 flat angles P-C4'-P energy: -8.649 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: 9, replica: 5 ===================================== Write number: 172 Temperature: 1.300000 Total energy: -70.401322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.401322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.401322 (E_RNA) where: Base-Base interactions energy: -26.757 where: short stacking energy: -22.737 Base-Backbone interact. energy: 0.698 local terms energy: -44.342825 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -11.616 flat angles P-C4'-P energy: -8.492 tors. eta vs tors. theta energy: 2.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 172 Temperature: 1.350000 Total energy: -75.714487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.714487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.714487 (E_RNA) where: Base-Base interactions energy: -21.604 where: short stacking energy: -22.704 Base-Backbone interact. energy: -0.049 local terms energy: -54.061859 where: bonds (distance) C4'-P energy: -12.958 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -10.719 tors. eta vs tors. theta energy: -3.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 173 Temperature: 0.900000 Total energy: -217.093493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.093493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.093493 (E_RNA) where: Base-Base interactions energy: -143.381 where: short stacking energy: -65.809 Base-Backbone interact. energy: -0.290 local terms energy: -73.423004 where: bonds (distance) C4'-P energy: -14.321 bonds (distance) P-C4' energy: -15.142 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -10.753 tors. eta vs tors. theta energy: -20.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 173 Temperature: 0.950000 Total energy: -210.335689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.335689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.335689 (E_RNA) where: Base-Base interactions energy: -139.114 where: short stacking energy: -65.960 Base-Backbone interact. energy: -0.012 local terms energy: -71.209348 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -13.908 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -19.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 173 Temperature: 1.000000 Total energy: -188.239693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.239693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.239693 (E_RNA) where: Base-Base interactions energy: -122.158 where: short stacking energy: -49.508 Base-Backbone interact. energy: 0.953 local terms energy: -67.033733 where: bonds (distance) C4'-P energy: -14.606 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -13.615 flat angles P-C4'-P energy: -9.989 tors. eta vs tors. theta energy: -15.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 173 Temperature: 1.050000 Total energy: -177.422097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.422097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.422097 (E_RNA) where: Base-Base interactions energy: -113.574 where: short stacking energy: -43.961 Base-Backbone interact. energy: -0.052 local terms energy: -63.795656 where: bonds (distance) C4'-P energy: -13.814 bonds (distance) P-C4' energy: -14.881 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -4.166 tors. eta vs tors. theta energy: -16.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 173 Temperature: 1.100000 Total energy: -161.001931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.001931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.001931 (E_RNA) where: Base-Base interactions energy: -100.257 where: short stacking energy: -44.371 Base-Backbone interact. energy: -0.013 local terms energy: -60.732050 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -15.271 flat angles C4'-P-C4' energy: -11.460 flat angles P-C4'-P energy: -9.556 tors. eta vs tors. theta energy: -13.135 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: 1 ===================================== Write number: 173 Temperature: 1.150000 Total energy: -160.436391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.436391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.436391 (E_RNA) where: Base-Base interactions energy: -101.978 where: short stacking energy: -42.559 Base-Backbone interact. energy: -0.168 local terms energy: -58.290477 where: bonds (distance) C4'-P energy: -9.438 bonds (distance) P-C4' energy: -14.460 flat angles C4'-P-C4' energy: -14.056 flat angles P-C4'-P energy: -6.901 tors. eta vs tors. theta energy: -13.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 173 Temperature: 1.200000 Total energy: -84.325474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.325474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.325474 (E_RNA) where: Base-Base interactions energy: -44.401 where: short stacking energy: -27.425 Base-Backbone interact. energy: -0.142 local terms energy: -39.783069 where: bonds (distance) C4'-P energy: -8.554 bonds (distance) P-C4' energy: -12.659 flat angles C4'-P-C4' energy: -8.935 flat angles P-C4'-P energy: -4.594 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: 8, replica: 7 ===================================== Write number: 173 Temperature: 1.250000 Total energy: -83.095771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.095771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.095771 (E_RNA) where: Base-Base interactions energy: -33.780 where: short stacking energy: -27.237 Base-Backbone interact. energy: -0.127 local terms energy: -49.188559 where: bonds (distance) C4'-P energy: -15.857 bonds (distance) P-C4' energy: -14.923 flat angles C4'-P-C4' energy: -11.842 flat angles P-C4'-P energy: -2.001 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: 5 ===================================== Write number: 173 Temperature: 1.300000 Total energy: -82.575717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.575717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.575717 (E_RNA) where: Base-Base interactions energy: -37.866 where: short stacking energy: -24.331 Base-Backbone interact. energy: 1.759 local terms energy: -46.469068 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -11.106 flat angles P-C4'-P energy: -6.637 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: 10, replica: 2 ===================================== Write number: 173 Temperature: 1.350000 Total energy: -75.154035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.154035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.154035 (E_RNA) where: Base-Base interactions energy: -31.210 where: short stacking energy: -22.915 Base-Backbone interact. energy: -0.075 local terms energy: -43.869052 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -12.817 flat angles C4'-P-C4' energy: -8.276 flat angles P-C4'-P energy: -4.762 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 174 Temperature: 0.900000 Total energy: -213.891286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.891286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.891286 (E_RNA) where: Base-Base interactions energy: -141.456 where: short stacking energy: -64.729 Base-Backbone interact. energy: -0.034 local terms energy: -72.401141 where: bonds (distance) C4'-P energy: -13.195 bonds (distance) P-C4' energy: -14.846 flat angles C4'-P-C4' energy: -16.205 flat angles P-C4'-P energy: -10.237 tors. eta vs tors. theta energy: -17.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 174 Temperature: 0.950000 Total energy: -207.347747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.347747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.347747 (E_RNA) where: Base-Base interactions energy: -131.164 where: short stacking energy: -62.170 Base-Backbone interact. energy: -0.103 local terms energy: -76.080356 where: bonds (distance) C4'-P energy: -12.046 bonds (distance) P-C4' energy: -16.377 flat angles C4'-P-C4' energy: -17.130 flat angles P-C4'-P energy: -10.403 tors. eta vs tors. theta energy: -20.124 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: 6 ===================================== Write number: 174 Temperature: 1.000000 Total energy: -183.979330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.979330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.979330 (E_RNA) where: Base-Base interactions energy: -123.829 where: short stacking energy: -64.407 Base-Backbone interact. energy: -0.031 local terms energy: -60.118914 where: bonds (distance) C4'-P energy: -12.153 bonds (distance) P-C4' energy: -9.095 flat angles C4'-P-C4' energy: -12.989 flat angles P-C4'-P energy: -11.241 tors. eta vs tors. theta energy: -14.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 174 Temperature: 1.050000 Total energy: -179.946053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.946053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.946053 (E_RNA) where: Base-Base interactions energy: -112.928 where: short stacking energy: -43.936 Base-Backbone interact. energy: -0.062 local terms energy: -66.955365 where: bonds (distance) C4'-P energy: -11.322 bonds (distance) P-C4' energy: -16.410 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -9.723 tors. eta vs tors. theta energy: -15.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 174 Temperature: 1.100000 Total energy: -160.702613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.702613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.702613 (E_RNA) where: Base-Base interactions energy: -98.789 where: short stacking energy: -40.480 Base-Backbone interact. energy: -1.327 local terms energy: -60.587261 where: bonds (distance) C4'-P energy: -13.973 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -7.964 tors. eta vs tors. theta energy: -10.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 174 Temperature: 1.150000 Total energy: -171.498846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.498846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.498846 (E_RNA) where: Base-Base interactions energy: -112.258 where: short stacking energy: -54.943 Base-Backbone interact. energy: -0.063 local terms energy: -59.178138 where: bonds (distance) C4'-P energy: -7.837 bonds (distance) P-C4' energy: -11.731 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -10.479 tors. eta vs tors. theta energy: -15.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 174 Temperature: 1.200000 Total energy: -111.416423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.416423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.416423 (E_RNA) where: Base-Base interactions energy: -48.414 where: short stacking energy: -48.414 Base-Backbone interact. energy: -0.000 local terms energy: -63.002270 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -9.665 flat angles C4'-P-C4' energy: -14.649 flat angles P-C4'-P energy: -8.830 tors. eta vs tors. theta energy: -16.172 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 174 Temperature: 1.250000 Total energy: -75.242026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.242026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.242026 (E_RNA) where: Base-Base interactions energy: -32.300 where: short stacking energy: -32.300 Base-Backbone interact. energy: 3.045 local terms energy: -45.986928 where: bonds (distance) C4'-P energy: -9.101 bonds (distance) P-C4' energy: -13.213 flat angles C4'-P-C4' energy: -13.033 flat angles P-C4'-P energy: -10.773 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: 174 Temperature: 1.300000 Total energy: -97.341920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.341920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.341920 (E_RNA) where: Base-Base interactions energy: -52.241 where: short stacking energy: -37.892 Base-Backbone interact. energy: -0.260 local terms energy: -44.840697 where: bonds (distance) C4'-P energy: -12.239 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -7.030 flat angles P-C4'-P energy: -8.312 tors. eta vs tors. theta energy: -4.810 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: 5 ===================================== Write number: 174 Temperature: 1.350000 Total energy: -81.675609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.675609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.675609 (E_RNA) where: Base-Base interactions energy: -34.463 where: short stacking energy: -32.162 Base-Backbone interact. energy: -0.015 local terms energy: -47.197095 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -12.268 flat angles P-C4'-P energy: -4.554 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: 1, replica: 4 ===================================== Write number: 175 Temperature: 0.900000 Total energy: -210.564044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.564044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.564044 (E_RNA) where: Base-Base interactions energy: -138.900 where: short stacking energy: -66.132 Base-Backbone interact. energy: -0.060 local terms energy: -71.603791 where: bonds (distance) C4'-P energy: -12.747 bonds (distance) P-C4' energy: -16.855 flat angles C4'-P-C4' energy: -14.568 flat angles P-C4'-P energy: -10.408 tors. eta vs tors. theta energy: -17.026 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: 6 ===================================== Write number: 175 Temperature: 0.950000 Total energy: -186.699213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.699213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.699213 (E_RNA) where: Base-Base interactions energy: -121.523 where: short stacking energy: -56.160 Base-Backbone interact. energy: -0.495 local terms energy: -64.681703 where: bonds (distance) C4'-P energy: -12.491 bonds (distance) P-C4' energy: -14.648 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -6.944 tors. eta vs tors. theta energy: -18.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 175 Temperature: 1.000000 Total energy: -193.681859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.681859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.681859 (E_RNA) where: Base-Base interactions energy: -128.092 where: short stacking energy: -61.212 Base-Backbone interact. energy: -0.001 local terms energy: -65.588833 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -12.905 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -9.956 tors. eta vs tors. theta energy: -16.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 175 Temperature: 1.050000 Total energy: -180.666859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.666859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.666859 (E_RNA) where: Base-Base interactions energy: -122.401 where: short stacking energy: -47.175 Base-Backbone interact. energy: -0.031 local terms energy: -58.235168 where: bonds (distance) C4'-P energy: -10.253 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -12.242 flat angles P-C4'-P energy: -8.018 tors. eta vs tors. theta energy: -11.509 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: 1 ===================================== Write number: 175 Temperature: 1.100000 Total energy: -163.829631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.829631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.829631 (E_RNA) where: Base-Base interactions energy: -101.429 where: short stacking energy: -54.552 Base-Backbone interact. energy: 2.016 local terms energy: -64.416814 where: bonds (distance) C4'-P energy: -13.675 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -15.221 flat angles P-C4'-P energy: -7.309 tors. eta vs tors. theta energy: -13.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 175 Temperature: 1.150000 Total energy: -108.549741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.549741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.549741 (E_RNA) where: Base-Base interactions energy: -54.191 where: short stacking energy: -47.417 Base-Backbone interact. energy: -0.047 local terms energy: -54.311923 where: bonds (distance) C4'-P energy: -8.712 bonds (distance) P-C4' energy: -10.403 flat angles C4'-P-C4' energy: -13.347 flat angles P-C4'-P energy: -9.321 tors. eta vs tors. theta energy: -12.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 175 Temperature: 1.200000 Total energy: -165.853805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.853805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.853805 (E_RNA) where: Base-Base interactions energy: -119.665 where: short stacking energy: -50.443 Base-Backbone interact. energy: -0.011 local terms energy: -46.178383 where: bonds (distance) C4'-P energy: -15.019 bonds (distance) P-C4' energy: -8.541 flat angles C4'-P-C4' energy: -10.402 flat angles P-C4'-P energy: -4.039 tors. eta vs tors. theta energy: -8.177 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 175 Temperature: 1.250000 Total energy: -107.304052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.304052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.304052 (E_RNA) where: Base-Base interactions energy: -58.578 where: short stacking energy: -36.420 Base-Backbone interact. energy: -0.774 local terms energy: -47.951915 where: bonds (distance) C4'-P energy: -9.902 bonds (distance) P-C4' energy: -12.751 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -1.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 175 Temperature: 1.300000 Total energy: -79.792204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.792204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.792204 (E_RNA) where: Base-Base interactions energy: -42.175 where: short stacking energy: -34.344 Base-Backbone interact. energy: -0.139 local terms energy: -37.478976 where: bonds (distance) C4'-P energy: -5.506 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -12.951 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -1.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 175 Temperature: 1.350000 Total energy: -89.165830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.165830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.165830 (E_RNA) where: Base-Base interactions energy: -33.086 where: short stacking energy: -31.534 Base-Backbone interact. energy: -0.189 local terms energy: -55.890255 where: bonds (distance) C4'-P energy: -12.424 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -15.522 flat angles P-C4'-P energy: -6.779 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: 1, replica: 6 ===================================== Write number: 176 Temperature: 0.900000 Total energy: -187.812042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.812042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.812042 (E_RNA) where: Base-Base interactions energy: -119.329 where: short stacking energy: -56.252 Base-Backbone interact. energy: -0.185 local terms energy: -68.298163 where: bonds (distance) C4'-P energy: -11.552 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -14.682 flat angles P-C4'-P energy: -9.272 tors. eta vs tors. theta energy: -16.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 176 Temperature: 0.950000 Total energy: -206.290752 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.290752 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.290752 (E_RNA) where: Base-Base interactions energy: -137.246 where: short stacking energy: -64.920 Base-Backbone interact. energy: -0.609 local terms energy: -68.435816 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -13.822 flat angles C4'-P-C4' energy: -12.173 flat angles P-C4'-P energy: -11.546 tors. eta vs tors. theta energy: -16.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 176 Temperature: 1.000000 Total energy: -202.421982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.421982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.421982 (E_RNA) where: Base-Base interactions energy: -129.658 where: short stacking energy: -62.507 Base-Backbone interact. energy: -0.002 local terms energy: -72.761651 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -14.507 flat angles P-C4'-P energy: -11.303 tors. eta vs tors. theta energy: -17.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 176 Temperature: 1.050000 Total energy: -180.588900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.588900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.588900 (E_RNA) where: Base-Base interactions energy: -114.227 where: short stacking energy: -54.856 Base-Backbone interact. energy: -0.054 local terms energy: -66.308316 where: bonds (distance) C4'-P energy: -13.243 bonds (distance) P-C4' energy: -13.688 flat angles C4'-P-C4' energy: -14.881 flat angles P-C4'-P energy: -9.012 tors. eta vs tors. theta energy: -15.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 176 Temperature: 1.100000 Total energy: -182.613024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.613024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.613024 (E_RNA) where: Base-Base interactions energy: -119.951 where: short stacking energy: -56.084 Base-Backbone interact. energy: -0.163 local terms energy: -62.498715 where: bonds (distance) C4'-P energy: -12.690 bonds (distance) P-C4' energy: -9.686 flat angles C4'-P-C4' energy: -15.237 flat angles P-C4'-P energy: -5.182 tors. eta vs tors. theta energy: -19.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 176 Temperature: 1.150000 Total energy: -112.141344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.141344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.141344 (E_RNA) where: Base-Base interactions energy: -55.277 where: short stacking energy: -50.858 Base-Backbone interact. energy: -0.002 local terms energy: -56.862326 where: bonds (distance) C4'-P energy: -11.308 bonds (distance) P-C4' energy: -11.056 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -9.533 tors. eta vs tors. theta energy: -12.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 176 Temperature: 1.200000 Total energy: -154.657710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.657710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.657710 (E_RNA) where: Base-Base interactions energy: -99.858 where: short stacking energy: -47.963 Base-Backbone interact. energy: -0.394 local terms energy: -54.406192 where: bonds (distance) C4'-P energy: -9.874 bonds (distance) P-C4' energy: -12.950 flat angles C4'-P-C4' energy: -15.341 flat angles P-C4'-P energy: -10.614 tors. eta vs tors. theta energy: -5.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 176 Temperature: 1.250000 Total energy: -105.079324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.079324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.079324 (E_RNA) where: Base-Base interactions energy: -65.720 where: short stacking energy: -36.487 Base-Backbone interact. energy: -0.315 local terms energy: -39.043776 where: bonds (distance) C4'-P energy: -8.940 bonds (distance) P-C4' energy: -8.722 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -2.285 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: 9, replica: 5 ===================================== Write number: 176 Temperature: 1.300000 Total energy: -80.844175 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.844175 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.844175 (E_RNA) where: Base-Base interactions energy: -43.438 where: short stacking energy: -23.909 Base-Backbone interact. energy: -0.369 local terms energy: -37.037617 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -12.260 flat angles C4'-P-C4' energy: -10.247 flat angles P-C4'-P energy: -3.362 tors. eta vs tors. theta energy: 0.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 176 Temperature: 1.350000 Total energy: -77.872821 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.872821 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.872821 (E_RNA) where: Base-Base interactions energy: -33.327 where: short stacking energy: -30.735 Base-Backbone interact. energy: -0.011 local terms energy: -44.534972 where: bonds (distance) C4'-P energy: -10.003 bonds (distance) P-C4' energy: -11.250 flat angles C4'-P-C4' energy: -8.829 flat angles P-C4'-P energy: -5.990 tors. eta vs tors. theta energy: -8.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 177 Temperature: 0.900000 Total energy: -201.526591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.526591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.526591 (E_RNA) where: Base-Base interactions energy: -129.548 where: short stacking energy: -61.864 Base-Backbone interact. energy: 0.104 local terms energy: -72.082933 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -16.401 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -8.067 tors. eta vs tors. theta energy: -21.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 177 Temperature: 0.950000 Total energy: -207.164915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.164915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.164915 (E_RNA) where: Base-Base interactions energy: -137.093 where: short stacking energy: -61.590 Base-Backbone interact. energy: -0.003 local terms energy: -70.069590 where: bonds (distance) C4'-P energy: -14.001 bonds (distance) P-C4' energy: -13.696 flat angles C4'-P-C4' energy: -16.616 flat angles P-C4'-P energy: -9.973 tors. eta vs tors. theta energy: -15.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 177 Temperature: 1.000000 Total energy: -198.137741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.137741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.137741 (E_RNA) where: Base-Base interactions energy: -128.863 where: short stacking energy: -56.294 Base-Backbone interact. energy: -0.003 local terms energy: -69.271330 where: bonds (distance) C4'-P energy: -13.273 bonds (distance) P-C4' energy: -13.255 flat angles C4'-P-C4' energy: -15.027 flat angles P-C4'-P energy: -11.001 tors. eta vs tors. theta energy: -16.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 177 Temperature: 1.050000 Total energy: -187.638060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.638060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.638060 (E_RNA) where: Base-Base interactions energy: -120.806 where: short stacking energy: -55.283 Base-Backbone interact. energy: -0.902 local terms energy: -65.929611 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -14.600 flat angles C4'-P-C4' energy: -13.662 flat angles P-C4'-P energy: -8.500 tors. eta vs tors. theta energy: -16.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 177 Temperature: 1.100000 Total energy: -168.170452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.170452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.170452 (E_RNA) where: Base-Base interactions energy: -104.936 where: short stacking energy: -44.749 Base-Backbone interact. energy: 0.708 local terms energy: -63.942380 where: bonds (distance) C4'-P energy: -12.900 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -14.304 flat angles P-C4'-P energy: -11.038 tors. eta vs tors. theta energy: -9.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 177 Temperature: 1.150000 Total energy: -170.472422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.472422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.472422 (E_RNA) where: Base-Base interactions energy: -108.518 where: short stacking energy: -51.228 Base-Backbone interact. energy: -0.052 local terms energy: -61.902099 where: bonds (distance) C4'-P energy: -12.644 bonds (distance) P-C4' energy: -10.633 flat angles C4'-P-C4' energy: -14.440 flat angles P-C4'-P energy: -10.308 tors. eta vs tors. theta energy: -13.877 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 177 Temperature: 1.200000 Total energy: -87.485699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.485699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.485699 (E_RNA) where: Base-Base interactions energy: -37.797 where: short stacking energy: -34.153 Base-Backbone interact. energy: -0.034 local terms energy: -49.655191 where: bonds (distance) C4'-P energy: -13.327 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -10.255 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -0.893 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 177 Temperature: 1.250000 Total energy: -91.897047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.897047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.897047 (E_RNA) where: Base-Base interactions energy: -40.999 where: short stacking energy: -40.999 Base-Backbone interact. energy: -0.015 local terms energy: -50.883570 where: bonds (distance) C4'-P energy: -12.151 bonds (distance) P-C4' energy: -14.949 flat angles C4'-P-C4' energy: -12.450 flat angles P-C4'-P energy: -3.535 tors. eta vs tors. theta energy: -7.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 177 Temperature: 1.300000 Total energy: -94.323504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.323504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.323504 (E_RNA) where: Base-Base interactions energy: -40.975 where: short stacking energy: -31.590 Base-Backbone interact. energy: 0.987 local terms energy: -54.335114 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -15.935 flat angles C4'-P-C4' energy: -14.811 flat angles P-C4'-P energy: -5.950 tors. eta vs tors. theta energy: -3.638 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 177 Temperature: 1.350000 Total energy: -75.629142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.629142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.629142 (E_RNA) where: Base-Base interactions energy: -35.391 where: short stacking energy: -27.376 Base-Backbone interact. energy: 1.774 local terms energy: -42.012604 where: bonds (distance) C4'-P energy: -9.058 bonds (distance) P-C4' energy: -11.312 flat angles C4'-P-C4' energy: -10.721 flat angles P-C4'-P energy: -6.973 tors. eta vs tors. theta energy: -3.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 178 Temperature: 0.900000 Total energy: -203.484507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.484507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.484507 (E_RNA) where: Base-Base interactions energy: -137.481 where: short stacking energy: -58.104 Base-Backbone interact. energy: -0.212 local terms energy: -65.791208 where: bonds (distance) C4'-P energy: -14.898 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -11.268 flat angles P-C4'-P energy: -9.700 tors. eta vs tors. theta energy: -14.226 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: 2, replica: 6 ===================================== Write number: 178 Temperature: 0.950000 Total energy: -192.415054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.415054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.415054 (E_RNA) where: Base-Base interactions energy: -124.505 where: short stacking energy: -59.590 Base-Backbone interact. energy: -0.095 local terms energy: -67.814828 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -11.967 flat angles C4'-P-C4' energy: -14.312 flat angles P-C4'-P energy: -9.082 tors. eta vs tors. theta energy: -19.219 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 178 Temperature: 1.000000 Total energy: -186.997627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.997627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.997627 (E_RNA) where: Base-Base interactions energy: -127.027 where: short stacking energy: -57.919 Base-Backbone interact. energy: -0.096 local terms energy: -59.874069 where: bonds (distance) C4'-P energy: -12.179 bonds (distance) P-C4' energy: -11.980 flat angles C4'-P-C4' energy: -11.022 flat angles P-C4'-P energy: -5.544 tors. eta vs tors. theta energy: -19.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 178 Temperature: 1.050000 Total energy: -199.767529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.767529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.767529 (E_RNA) where: Base-Base interactions energy: -137.378 where: short stacking energy: -66.996 Base-Backbone interact. energy: -0.041 local terms energy: -62.348871 where: bonds (distance) C4'-P energy: -9.593 bonds (distance) P-C4' energy: -12.011 flat angles C4'-P-C4' energy: -14.279 flat angles P-C4'-P energy: -10.467 tors. eta vs tors. theta energy: -15.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 178 Temperature: 1.100000 Total energy: -173.449650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.449650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.449650 (E_RNA) where: Base-Base interactions energy: -109.686 where: short stacking energy: -48.574 Base-Backbone interact. energy: -0.147 local terms energy: -63.616627 where: bonds (distance) C4'-P energy: -13.749 bonds (distance) P-C4' energy: -14.274 flat angles C4'-P-C4' energy: -11.316 flat angles P-C4'-P energy: -8.613 tors. eta vs tors. theta energy: -15.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 178 Temperature: 1.150000 Total energy: -173.173584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.173584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.173584 (E_RNA) where: Base-Base interactions energy: -115.078 where: short stacking energy: -45.328 Base-Backbone interact. energy: 0.390 local terms energy: -58.485891 where: bonds (distance) C4'-P energy: -12.126 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -11.575 flat angles P-C4'-P energy: -8.359 tors. eta vs tors. theta energy: -12.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 178 Temperature: 1.200000 Total energy: -97.204777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.204777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.204777 (E_RNA) where: Base-Base interactions energy: -53.769 where: short stacking energy: -24.981 Base-Backbone interact. energy: -0.121 local terms energy: -43.313966 where: bonds (distance) C4'-P energy: -10.550 bonds (distance) P-C4' energy: -12.504 flat angles C4'-P-C4' energy: -12.363 flat angles P-C4'-P energy: -6.915 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 178 Temperature: 1.250000 Total energy: -76.446839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.446839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.446839 (E_RNA) where: Base-Base interactions energy: -27.994 where: short stacking energy: -27.994 Base-Backbone interact. energy: -0.071 local terms energy: -48.382558 where: bonds (distance) C4'-P energy: -11.278 bonds (distance) P-C4' energy: -11.092 flat angles C4'-P-C4' energy: -12.478 flat angles P-C4'-P energy: -9.463 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: 9, replica: 5 ===================================== Write number: 178 Temperature: 1.300000 Total energy: -79.122683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.122683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.122683 (E_RNA) where: Base-Base interactions energy: -30.074 where: short stacking energy: -23.129 Base-Backbone interact. energy: -0.129 local terms energy: -48.919539 where: bonds (distance) C4'-P energy: -10.395 bonds (distance) P-C4' energy: -14.993 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -5.903 tors. eta vs tors. theta energy: -3.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 178 Temperature: 1.350000 Total energy: -74.248499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.248499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.248499 (E_RNA) where: Base-Base interactions energy: -30.183 where: short stacking energy: -29.023 Base-Backbone interact. energy: -0.103 local terms energy: -43.962696 where: bonds (distance) C4'-P energy: -10.810 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -12.624 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -2.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 179 Temperature: 0.900000 Total energy: -201.954634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.954634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.954634 (E_RNA) where: Base-Base interactions energy: -131.625 where: short stacking energy: -56.902 Base-Backbone interact. energy: -0.318 local terms energy: -70.011557 where: bonds (distance) C4'-P energy: -14.170 bonds (distance) P-C4' energy: -13.007 flat angles C4'-P-C4' energy: -16.669 flat angles P-C4'-P energy: -10.191 tors. eta vs tors. theta energy: -15.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 179 Temperature: 0.950000 Total energy: -192.019722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.019722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.019722 (E_RNA) where: Base-Base interactions energy: -119.955 where: short stacking energy: -59.099 Base-Backbone interact. energy: -0.050 local terms energy: -72.014856 where: bonds (distance) C4'-P energy: -12.743 bonds (distance) P-C4' energy: -15.099 flat angles C4'-P-C4' energy: -14.182 flat angles P-C4'-P energy: -12.866 tors. eta vs tors. theta energy: -17.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 179 Temperature: 1.000000 Total energy: -193.841027 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.841027 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.841027 (E_RNA) where: Base-Base interactions energy: -122.162 where: short stacking energy: -60.957 Base-Backbone interact. energy: -0.000 local terms energy: -71.678889 where: bonds (distance) C4'-P energy: -13.319 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -12.406 tors. eta vs tors. theta energy: -19.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 179 Temperature: 1.050000 Total energy: -175.665004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.665004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.665004 (E_RNA) where: Base-Base interactions energy: -112.160 where: short stacking energy: -44.497 Base-Backbone interact. energy: -1.176 local terms energy: -62.329653 where: bonds (distance) C4'-P energy: -14.743 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -8.671 flat angles P-C4'-P energy: -10.849 tors. eta vs tors. theta energy: -14.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 179 Temperature: 1.100000 Total energy: -184.623514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.623514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.623514 (E_RNA) where: Base-Base interactions energy: -123.024 where: short stacking energy: -59.929 Base-Backbone interact. energy: -1.334 local terms energy: -60.265879 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -10.482 flat angles C4'-P-C4' energy: -12.859 flat angles P-C4'-P energy: -10.476 tors. eta vs tors. theta energy: -14.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 179 Temperature: 1.150000 Total energy: -169.613237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.613237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.613237 (E_RNA) where: Base-Base interactions energy: -109.661 where: short stacking energy: -60.779 Base-Backbone interact. energy: 0.329 local terms energy: -60.280813 where: bonds (distance) C4'-P energy: -11.894 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -12.910 flat angles P-C4'-P energy: -7.405 tors. eta vs tors. theta energy: -14.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 179 Temperature: 1.200000 Total energy: -78.548651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.548651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.548651 (E_RNA) where: Base-Base interactions energy: -29.762 where: short stacking energy: -29.345 Base-Backbone interact. energy: -0.028 local terms energy: -48.759101 where: bonds (distance) C4'-P energy: -14.341 bonds (distance) P-C4' energy: -14.907 flat angles C4'-P-C4' energy: -9.511 flat angles P-C4'-P energy: -5.220 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: 8, replica: 5 ===================================== Write number: 179 Temperature: 1.250000 Total energy: -78.313326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.313326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.313326 (E_RNA) where: Base-Base interactions energy: -28.083 where: short stacking energy: -27.076 Base-Backbone interact. energy: -0.117 local terms energy: -50.113422 where: bonds (distance) C4'-P energy: -11.699 bonds (distance) P-C4' energy: -11.318 flat angles C4'-P-C4' energy: -11.252 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -4.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 179 Temperature: 1.300000 Total energy: -78.709076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.709076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.709076 (E_RNA) where: Base-Base interactions energy: -31.663 where: short stacking energy: -31.267 Base-Backbone interact. energy: -0.927 local terms energy: -46.119205 where: bonds (distance) C4'-P energy: -12.743 bonds (distance) P-C4' energy: -11.182 flat angles C4'-P-C4' energy: -11.157 flat angles P-C4'-P energy: -6.281 tors. eta vs tors. theta energy: -4.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 179 Temperature: 1.350000 Total energy: -65.575777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.575777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.575777 (E_RNA) where: Base-Base interactions energy: -24.942 where: short stacking energy: -24.942 Base-Backbone interact. energy: -0.201 local terms energy: -40.433330 where: bonds (distance) C4'-P energy: -8.819 bonds (distance) P-C4' energy: -12.744 flat angles C4'-P-C4' energy: -11.060 flat angles P-C4'-P energy: -6.375 tors. eta vs tors. theta energy: -1.435 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: 9 ===================================== Write number: 180 Temperature: 0.900000 Total energy: -204.414858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.414858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.414858 (E_RNA) where: Base-Base interactions energy: -133.558 where: short stacking energy: -60.481 Base-Backbone interact. energy: -0.002 local terms energy: -70.854967 where: bonds (distance) C4'-P energy: -12.771 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -14.236 flat angles P-C4'-P energy: -12.160 tors. eta vs tors. theta energy: -16.642 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: 1 ===================================== Write number: 180 Temperature: 0.950000 Total energy: -194.721268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.721268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.721268 (E_RNA) where: Base-Base interactions energy: -120.899 where: short stacking energy: -59.915 Base-Backbone interact. energy: -0.016 local terms energy: -73.806629 where: bonds (distance) C4'-P energy: -15.372 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -13.382 flat angles P-C4'-P energy: -10.827 tors. eta vs tors. theta energy: -19.752 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: 6 ===================================== Write number: 180 Temperature: 1.000000 Total energy: -190.304297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.304297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.304297 (E_RNA) where: Base-Base interactions energy: -118.449 where: short stacking energy: -58.743 Base-Backbone interact. energy: -0.298 local terms energy: -71.556891 where: bonds (distance) C4'-P energy: -15.140 bonds (distance) P-C4' energy: -12.950 flat angles C4'-P-C4' energy: -13.477 flat angles P-C4'-P energy: -12.841 tors. eta vs tors. theta energy: -17.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 180 Temperature: 1.050000 Total energy: -180.088851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.088851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.088851 (E_RNA) where: Base-Base interactions energy: -117.022 where: short stacking energy: -49.948 Base-Backbone interact. energy: -0.242 local terms energy: -62.824697 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -15.492 flat angles P-C4'-P energy: -6.619 tors. eta vs tors. theta energy: -11.144 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: 180 Temperature: 1.100000 Total energy: -193.857007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.857007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.857007 (E_RNA) where: Base-Base interactions energy: -132.445 where: short stacking energy: -61.207 Base-Backbone interact. energy: 0.994 local terms energy: -62.405714 where: bonds (distance) C4'-P energy: -9.531 bonds (distance) P-C4' energy: -15.429 flat angles C4'-P-C4' energy: -13.036 flat angles P-C4'-P energy: -8.937 tors. eta vs tors. theta energy: -15.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 180 Temperature: 1.150000 Total energy: -169.620048 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.620048 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.620048 (E_RNA) where: Base-Base interactions energy: -113.638 where: short stacking energy: -54.686 Base-Backbone interact. energy: -0.052 local terms energy: -55.929930 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -7.254 tors. eta vs tors. theta energy: -12.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 180 Temperature: 1.200000 Total energy: -83.058164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.058164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.058164 (E_RNA) where: Base-Base interactions energy: -37.164 where: short stacking energy: -37.164 Base-Backbone interact. energy: -0.125 local terms energy: -45.769501 where: bonds (distance) C4'-P energy: -12.440 bonds (distance) P-C4' energy: -8.803 flat angles C4'-P-C4' energy: -13.578 flat angles P-C4'-P energy: -1.797 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: 8, replica: 2 ===================================== Write number: 180 Temperature: 1.250000 Total energy: -81.310438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.310438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.310438 (E_RNA) where: Base-Base interactions energy: -36.276 where: short stacking energy: -30.652 Base-Backbone interact. energy: -0.019 local terms energy: -45.015003 where: bonds (distance) C4'-P energy: -13.058 bonds (distance) P-C4' energy: -13.411 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -7.980 tors. eta vs tors. theta energy: 1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 180 Temperature: 1.300000 Total energy: -74.954047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.954047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.954047 (E_RNA) where: Base-Base interactions energy: -26.828 where: short stacking energy: -26.733 Base-Backbone interact. energy: -0.083 local terms energy: -48.042488 where: bonds (distance) C4'-P energy: -12.487 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -11.399 flat angles P-C4'-P energy: -7.947 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: 10, replica: 7 ===================================== Write number: 180 Temperature: 1.350000 Total energy: -84.317056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.317056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.317056 (E_RNA) where: Base-Base interactions energy: -36.037 where: short stacking energy: -31.639 Base-Backbone interact. energy: 0.482 local terms energy: -48.762628 where: bonds (distance) C4'-P energy: -13.903 bonds (distance) P-C4' energy: -8.816 flat angles C4'-P-C4' energy: -15.039 flat angles P-C4'-P energy: -4.388 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: 1, replica: 9 ===================================== Write number: 181 Temperature: 0.900000 Total energy: -201.916305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.916305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.916305 (E_RNA) where: Base-Base interactions energy: -128.960 where: short stacking energy: -66.422 Base-Backbone interact. energy: -0.016 local terms energy: -72.939640 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -16.059 flat angles P-C4'-P energy: -11.285 tors. eta vs tors. theta energy: -17.672 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: 2, replica: 1 ===================================== Write number: 181 Temperature: 0.950000 Total energy: -189.265777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.265777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.265777 (E_RNA) where: Base-Base interactions energy: -121.002 where: short stacking energy: -60.834 Base-Backbone interact. energy: -0.049 local terms energy: -68.215395 where: bonds (distance) C4'-P energy: -15.232 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -14.002 flat angles P-C4'-P energy: -7.184 tors. eta vs tors. theta energy: -17.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 181 Temperature: 1.000000 Total energy: -189.148490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.148490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.148490 (E_RNA) where: Base-Base interactions energy: -125.572 where: short stacking energy: -63.567 Base-Backbone interact. energy: -0.009 local terms energy: -63.567500 where: bonds (distance) C4'-P energy: -10.769 bonds (distance) P-C4' energy: -13.198 flat angles C4'-P-C4' energy: -12.837 flat angles P-C4'-P energy: -9.663 tors. eta vs tors. theta energy: -17.101 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: 4, replica: 4 ===================================== Write number: 181 Temperature: 1.050000 Total energy: -197.265036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.265036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.265036 (E_RNA) where: Base-Base interactions energy: -132.583 where: short stacking energy: -53.153 Base-Backbone interact. energy: -0.007 local terms energy: -64.675061 where: bonds (distance) C4'-P energy: -11.650 bonds (distance) P-C4' energy: -16.010 flat angles C4'-P-C4' energy: -15.127 flat angles P-C4'-P energy: -5.504 tors. eta vs tors. theta energy: -16.385 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: 181 Temperature: 1.100000 Total energy: -172.794130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.794130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.794130 (E_RNA) where: Base-Base interactions energy: -115.283 where: short stacking energy: -50.497 Base-Backbone interact. energy: -0.041 local terms energy: -57.470116 where: bonds (distance) C4'-P energy: -10.686 bonds (distance) P-C4' energy: -12.979 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -6.502 tors. eta vs tors. theta energy: -14.661 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: 10 ===================================== Write number: 181 Temperature: 1.150000 Total energy: -172.876056 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.876056 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.876056 (E_RNA) where: Base-Base interactions energy: -108.599 where: short stacking energy: -56.069 Base-Backbone interact. energy: 0.068 local terms energy: -64.344688 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -15.228 flat angles C4'-P-C4' energy: -13.640 flat angles P-C4'-P energy: -9.726 tors. eta vs tors. theta energy: -14.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 181 Temperature: 1.200000 Total energy: -89.450924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.450924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.450924 (E_RNA) where: Base-Base interactions energy: -36.533 where: short stacking energy: -27.164 Base-Backbone interact. energy: -0.178 local terms energy: -52.739589 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -13.740 flat angles P-C4'-P energy: -9.820 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: 8, replica: 8 ===================================== Write number: 181 Temperature: 1.250000 Total energy: -79.463579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.463579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.463579 (E_RNA) where: Base-Base interactions energy: -33.591 where: short stacking energy: -30.748 Base-Backbone interact. energy: -0.126 local terms energy: -45.746086 where: bonds (distance) C4'-P energy: -10.710 bonds (distance) P-C4' energy: -12.194 flat angles C4'-P-C4' energy: -13.531 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -0.792 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: 2 ===================================== Write number: 181 Temperature: 1.300000 Total energy: -75.731021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.731021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.731021 (E_RNA) where: Base-Base interactions energy: -29.850 where: short stacking energy: -29.780 Base-Backbone interact. energy: 0.168 local terms energy: -46.049058 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -9.417 flat angles C4'-P-C4' energy: -10.960 flat angles P-C4'-P energy: -5.748 tors. eta vs tors. theta energy: -6.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 181 Temperature: 1.350000 Total energy: -66.572987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.572987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.572987 (E_RNA) where: Base-Base interactions energy: -28.855 where: short stacking energy: -27.365 Base-Backbone interact. energy: -0.213 local terms energy: -37.505026 where: bonds (distance) C4'-P energy: -12.201 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -0.828 flat angles P-C4'-P energy: -9.405 tors. eta vs tors. theta energy: -3.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 182 Temperature: 0.900000 Total energy: -197.768501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.768501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.768501 (E_RNA) where: Base-Base interactions energy: -128.377 where: short stacking energy: -53.644 Base-Backbone interact. energy: -0.024 local terms energy: -69.366954 where: bonds (distance) C4'-P energy: -12.580 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -15.952 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: -15.936 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: 1 ===================================== Write number: 182 Temperature: 0.950000 Total energy: -195.218071 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.218071 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.218071 (E_RNA) where: Base-Base interactions energy: -128.928 where: short stacking energy: -63.063 Base-Backbone interact. energy: 0.138 local terms energy: -66.428218 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -12.157 flat angles C4'-P-C4' energy: -14.619 flat angles P-C4'-P energy: -8.780 tors. eta vs tors. theta energy: -16.954 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 182 Temperature: 1.000000 Total energy: -201.169598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.169598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.169598 (E_RNA) where: Base-Base interactions energy: -131.716 where: short stacking energy: -61.115 Base-Backbone interact. energy: -0.022 local terms energy: -69.431602 where: bonds (distance) C4'-P energy: -11.571 bonds (distance) P-C4' energy: -13.687 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -9.941 tors. eta vs tors. theta energy: -19.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 182 Temperature: 1.050000 Total energy: -191.544649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.544649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.544649 (E_RNA) where: Base-Base interactions energy: -117.314 where: short stacking energy: -59.785 Base-Backbone interact. energy: -0.023 local terms energy: -74.208205 where: bonds (distance) C4'-P energy: -13.537 bonds (distance) P-C4' energy: -16.700 flat angles C4'-P-C4' energy: -14.537 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -20.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 182 Temperature: 1.100000 Total energy: -179.229002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.229002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.229002 (E_RNA) where: Base-Base interactions energy: -117.417 where: short stacking energy: -48.017 Base-Backbone interact. energy: 0.774 local terms energy: -62.586381 where: bonds (distance) C4'-P energy: -13.405 bonds (distance) P-C4' energy: -14.991 flat angles C4'-P-C4' energy: -14.019 flat angles P-C4'-P energy: -9.472 tors. eta vs tors. theta energy: -10.699 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: 6, replica: 3 ===================================== Write number: 182 Temperature: 1.150000 Total energy: -170.825317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.825317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.825317 (E_RNA) where: Base-Base interactions energy: -105.004 where: short stacking energy: -46.908 Base-Backbone interact. energy: -0.253 local terms energy: -65.569034 where: bonds (distance) C4'-P energy: -11.671 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -15.777 flat angles P-C4'-P energy: -8.932 tors. eta vs tors. theta energy: -14.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 182 Temperature: 1.200000 Total energy: -89.358262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.358262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.358262 (E_RNA) where: Base-Base interactions energy: -43.383 where: short stacking energy: -34.730 Base-Backbone interact. energy: -0.046 local terms energy: -45.928809 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -11.378 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -3.897 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: 8, replica: 5 ===================================== Write number: 182 Temperature: 1.250000 Total energy: -87.249314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.249314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.249314 (E_RNA) where: Base-Base interactions energy: -38.368 where: short stacking energy: -35.888 Base-Backbone interact. energy: 0.032 local terms energy: -48.913441 where: bonds (distance) C4'-P energy: -10.421 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -9.997 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: 9, replica: 2 ===================================== Write number: 182 Temperature: 1.300000 Total energy: -83.270481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.270481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.270481 (E_RNA) where: Base-Base interactions energy: -31.577 where: short stacking energy: -31.577 Base-Backbone interact. energy: -0.062 local terms energy: -51.632148 where: bonds (distance) C4'-P energy: -12.069 bonds (distance) P-C4' energy: -12.415 flat angles C4'-P-C4' energy: -14.092 flat angles P-C4'-P energy: -7.902 tors. eta vs tors. theta energy: -5.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 182 Temperature: 1.350000 Total energy: -76.600075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.600075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.600075 (E_RNA) where: Base-Base interactions energy: -27.928 where: short stacking energy: -25.091 Base-Backbone interact. energy: -0.085 local terms energy: -48.587039 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -12.085 flat angles P-C4'-P energy: -6.189 tors. eta vs tors. theta energy: -3.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 183 Temperature: 0.900000 Total energy: -208.454832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.454832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.454832 (E_RNA) where: Base-Base interactions energy: -133.321 where: short stacking energy: -62.334 Base-Backbone interact. energy: -0.226 local terms energy: -74.907161 where: bonds (distance) C4'-P energy: -14.855 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -14.723 flat angles P-C4'-P energy: -11.828 tors. eta vs tors. theta energy: -19.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 183 Temperature: 0.950000 Total energy: -205.297853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.297853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.297853 (E_RNA) where: Base-Base interactions energy: -134.152 where: short stacking energy: -62.973 Base-Backbone interact. energy: -0.069 local terms energy: -71.076841 where: bonds (distance) C4'-P energy: -15.369 bonds (distance) P-C4' energy: -12.017 flat angles C4'-P-C4' energy: -15.076 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -20.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 183 Temperature: 1.000000 Total energy: -185.038267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.038267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.038267 (E_RNA) where: Base-Base interactions energy: -121.710 where: short stacking energy: -54.294 Base-Backbone interact. energy: -0.430 local terms energy: -62.897678 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -12.433 flat angles C4'-P-C4' energy: -13.339 flat angles P-C4'-P energy: -8.007 tors. eta vs tors. theta energy: -16.396 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: 10 ===================================== Write number: 183 Temperature: 1.050000 Total energy: -181.088968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.088968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.088968 (E_RNA) where: Base-Base interactions energy: -117.926 where: short stacking energy: -55.327 Base-Backbone interact. energy: -0.010 local terms energy: -63.152997 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -6.723 flat angles P-C4'-P energy: -13.203 tors. eta vs tors. theta energy: -15.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 183 Temperature: 1.100000 Total energy: -183.557227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.557227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.557227 (E_RNA) where: Base-Base interactions energy: -121.898 where: short stacking energy: -47.060 Base-Backbone interact. energy: -0.094 local terms energy: -61.565033 where: bonds (distance) C4'-P energy: -14.081 bonds (distance) P-C4' energy: -13.582 flat angles C4'-P-C4' energy: -10.928 flat angles P-C4'-P energy: -8.220 tors. eta vs tors. theta energy: -14.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 183 Temperature: 1.150000 Total energy: -169.649612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.649612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.649612 (E_RNA) where: Base-Base interactions energy: -102.437 where: short stacking energy: -44.514 Base-Backbone interact. energy: -0.121 local terms energy: -67.092118 where: bonds (distance) C4'-P energy: -15.256 bonds (distance) P-C4' energy: -12.629 flat angles C4'-P-C4' energy: -14.256 flat angles P-C4'-P energy: -11.966 tors. eta vs tors. theta energy: -12.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 183 Temperature: 1.200000 Total energy: -91.527036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.527036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.527036 (E_RNA) where: Base-Base interactions energy: -40.644 where: short stacking energy: -36.297 Base-Backbone interact. energy: -0.040 local terms energy: -50.842329 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -10.878 flat angles C4'-P-C4' energy: -10.341 flat angles P-C4'-P energy: -5.643 tors. eta vs tors. theta energy: -9.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 183 Temperature: 1.250000 Total energy: -84.635887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.635887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.635887 (E_RNA) where: Base-Base interactions energy: -36.185 where: short stacking energy: -30.228 Base-Backbone interact. energy: -0.050 local terms energy: -48.400685 where: bonds (distance) C4'-P energy: -8.463 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -15.921 flat angles P-C4'-P energy: -7.509 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: 9, replica: 5 ===================================== Write number: 183 Temperature: 1.300000 Total energy: -74.846550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.846550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.846550 (E_RNA) where: Base-Base interactions energy: -31.678 where: short stacking energy: -26.302 Base-Backbone interact. energy: 0.526 local terms energy: -43.694614 where: bonds (distance) C4'-P energy: -10.590 bonds (distance) P-C4' energy: -13.150 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -2.843 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: 10, replica: 7 ===================================== Write number: 183 Temperature: 1.350000 Total energy: -79.215668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.215668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.215668 (E_RNA) where: Base-Base interactions energy: -29.306 where: short stacking energy: -23.867 Base-Backbone interact. energy: -0.131 local terms energy: -49.778381 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -14.054 flat angles C4'-P-C4' energy: -11.572 flat angles P-C4'-P energy: -8.463 tors. eta vs tors. theta energy: -3.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 184 Temperature: 0.900000 Total energy: -203.350402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.350402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.350402 (E_RNA) where: Base-Base interactions energy: -130.007 where: short stacking energy: -58.682 Base-Backbone interact. energy: -0.018 local terms energy: -73.325081 where: bonds (distance) C4'-P energy: -15.802 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -16.592 flat angles P-C4'-P energy: -8.370 tors. eta vs tors. theta energy: -17.862 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: 184 Temperature: 0.950000 Total energy: -208.371161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.371161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.371161 (E_RNA) where: Base-Base interactions energy: -140.632 where: short stacking energy: -66.273 Base-Backbone interact. energy: -0.001 local terms energy: -67.738119 where: bonds (distance) C4'-P energy: -10.763 bonds (distance) P-C4' energy: -13.274 flat angles C4'-P-C4' energy: -15.775 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: -19.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 184 Temperature: 1.000000 Total energy: -185.522444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.522444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.522444 (E_RNA) where: Base-Base interactions energy: -117.772 where: short stacking energy: -55.477 Base-Backbone interact. energy: -0.086 local terms energy: -67.664793 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -13.625 flat angles C4'-P-C4' energy: -10.862 flat angles P-C4'-P energy: -11.979 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 184 Temperature: 1.050000 Total energy: -181.615626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.615626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.615626 (E_RNA) where: Base-Base interactions energy: -118.579 where: short stacking energy: -48.245 Base-Backbone interact. energy: -0.807 local terms energy: -62.229853 where: bonds (distance) C4'-P energy: -8.308 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -15.409 flat angles P-C4'-P energy: -12.804 tors. eta vs tors. theta energy: -12.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 184 Temperature: 1.100000 Total energy: -173.675494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.675494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.675494 (E_RNA) where: Base-Base interactions energy: -110.266 where: short stacking energy: -49.224 Base-Backbone interact. energy: -0.004 local terms energy: -63.405307 where: bonds (distance) C4'-P energy: -12.649 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -13.204 flat angles P-C4'-P energy: -10.116 tors. eta vs tors. theta energy: -14.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 184 Temperature: 1.150000 Total energy: -181.882097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.882097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.882097 (E_RNA) where: Base-Base interactions energy: -121.762 where: short stacking energy: -61.356 Base-Backbone interact. energy: -0.003 local terms energy: -60.116413 where: bonds (distance) C4'-P energy: -14.165 bonds (distance) P-C4' energy: -11.970 flat angles C4'-P-C4' energy: -10.820 flat angles P-C4'-P energy: -4.071 tors. eta vs tors. theta energy: -19.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 184 Temperature: 1.200000 Total energy: -87.163527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.163527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.163527 (E_RNA) where: Base-Base interactions energy: -31.091 where: short stacking energy: -30.302 Base-Backbone interact. energy: -0.231 local terms energy: -55.841577 where: bonds (distance) C4'-P energy: -10.288 bonds (distance) P-C4' energy: -13.605 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -10.318 tors. eta vs tors. theta energy: -6.694 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 184 Temperature: 1.250000 Total energy: -76.530992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.530992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.530992 (E_RNA) where: Base-Base interactions energy: -33.876 where: short stacking energy: -32.760 Base-Backbone interact. energy: -0.061 local terms energy: -42.593584 where: bonds (distance) C4'-P energy: -9.312 bonds (distance) P-C4' energy: -11.275 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -4.122 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: 9, replica: 7 ===================================== Write number: 184 Temperature: 1.300000 Total energy: -66.053090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.053090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.053090 (E_RNA) where: Base-Base interactions energy: -23.878 where: short stacking energy: -23.878 Base-Backbone interact. energy: 1.254 local terms energy: -43.428989 where: bonds (distance) C4'-P energy: -10.783 bonds (distance) P-C4' energy: -16.894 flat angles C4'-P-C4' energy: -8.138 flat angles P-C4'-P energy: -5.218 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: 10, replica: 5 ===================================== Write number: 184 Temperature: 1.350000 Total energy: -72.486754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.486754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.486754 (E_RNA) where: Base-Base interactions energy: -30.337 where: short stacking energy: -25.349 Base-Backbone interact. energy: -0.133 local terms energy: -42.016580 where: bonds (distance) C4'-P energy: -11.057 bonds (distance) P-C4' energy: -13.285 flat angles C4'-P-C4' energy: -8.665 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -1.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 185 Temperature: 0.900000 Total energy: -208.956928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.956928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.956928 (E_RNA) where: Base-Base interactions energy: -137.444 where: short stacking energy: -61.619 Base-Backbone interact. energy: -0.029 local terms energy: -71.484161 where: bonds (distance) C4'-P energy: -12.173 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -16.979 flat angles P-C4'-P energy: -12.633 tors. eta vs tors. theta energy: -15.708 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: 4 ===================================== Write number: 185 Temperature: 0.950000 Total energy: -211.056982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.056982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.056982 (E_RNA) where: Base-Base interactions energy: -135.649 where: short stacking energy: -60.521 Base-Backbone interact. energy: -0.067 local terms energy: -75.340955 where: bonds (distance) C4'-P energy: -14.307 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -15.176 flat angles P-C4'-P energy: -11.147 tors. eta vs tors. theta energy: -21.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 185 Temperature: 1.000000 Total energy: -185.137771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.137771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.137771 (E_RNA) where: Base-Base interactions energy: -117.742 where: short stacking energy: -53.150 Base-Backbone interact. energy: -0.003 local terms energy: -67.392973 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -15.054 flat angles P-C4'-P energy: -8.095 tors. eta vs tors. theta energy: -18.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 185 Temperature: 1.050000 Total energy: -181.173112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.173112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.173112 (E_RNA) where: Base-Base interactions energy: -114.795 where: short stacking energy: -55.305 Base-Backbone interact. energy: -0.016 local terms energy: -66.361496 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -11.258 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -18.072 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 185 Temperature: 1.100000 Total energy: -172.905530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.905530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.905530 (E_RNA) where: Base-Base interactions energy: -106.820 where: short stacking energy: -44.391 Base-Backbone interact. energy: -0.492 local terms energy: -65.593501 where: bonds (distance) C4'-P energy: -12.678 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -14.001 flat angles P-C4'-P energy: -11.973 tors. eta vs tors. theta energy: -11.787 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: 6, replica: 6 ===================================== Write number: 185 Temperature: 1.150000 Total energy: -181.808850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.808850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.808850 (E_RNA) where: Base-Base interactions energy: -115.587 where: short stacking energy: -56.791 Base-Backbone interact. energy: -0.012 local terms energy: -66.209591 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -13.888 flat angles C4'-P-C4' energy: -11.743 flat angles P-C4'-P energy: -11.030 tors. eta vs tors. theta energy: -17.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 185 Temperature: 1.200000 Total energy: -77.806660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.806660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.806660 (E_RNA) where: Base-Base interactions energy: -28.493 where: short stacking energy: -24.281 Base-Backbone interact. energy: 0.734 local terms energy: -50.048092 where: bonds (distance) C4'-P energy: -10.798 bonds (distance) P-C4' energy: -13.390 flat angles C4'-P-C4' energy: -14.456 flat angles P-C4'-P energy: -6.580 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: 8, replica: 7 ===================================== Write number: 185 Temperature: 1.250000 Total energy: -83.504016 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.504016 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.504016 (E_RNA) where: Base-Base interactions energy: -44.580 where: short stacking energy: -31.122 Base-Backbone interact. energy: -0.153 local terms energy: -38.771328 where: bonds (distance) C4'-P energy: -11.908 bonds (distance) P-C4' energy: -6.760 flat angles C4'-P-C4' energy: -11.388 flat angles P-C4'-P energy: -3.175 tors. eta vs tors. theta energy: -5.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 185 Temperature: 1.300000 Total energy: -80.468172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.468172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.468172 (E_RNA) where: Base-Base interactions energy: -33.180 where: short stacking energy: -33.180 Base-Backbone interact. energy: 0.340 local terms energy: -47.627383 where: bonds (distance) C4'-P energy: -11.743 bonds (distance) P-C4' energy: -4.553 flat angles C4'-P-C4' energy: -14.858 flat angles P-C4'-P energy: -8.122 tors. eta vs tors. theta energy: -8.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 185 Temperature: 1.350000 Total energy: -70.556180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.556180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.556180 (E_RNA) where: Base-Base interactions energy: -26.182 where: short stacking energy: -26.182 Base-Backbone interact. energy: -0.339 local terms energy: -44.034677 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -13.423 flat angles C4'-P-C4' energy: -6.032 flat angles P-C4'-P energy: -10.589 tors. eta vs tors. theta energy: -1.942 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 186 Temperature: 0.900000 Total energy: -213.948974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.948974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.948974 (E_RNA) where: Base-Base interactions energy: -141.859 where: short stacking energy: -69.267 Base-Backbone interact. energy: -0.000 local terms energy: -72.090058 where: bonds (distance) C4'-P energy: -13.133 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -16.456 flat angles P-C4'-P energy: -9.067 tors. eta vs tors. theta energy: -18.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 186 Temperature: 0.950000 Total energy: -207.327216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.327216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.327216 (E_RNA) where: Base-Base interactions energy: -142.640 where: short stacking energy: -64.332 Base-Backbone interact. energy: -0.001 local terms energy: -64.686166 where: bonds (distance) C4'-P energy: -13.742 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -6.855 tors. eta vs tors. theta energy: -17.207 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: 3 ===================================== Write number: 186 Temperature: 1.000000 Total energy: -183.366044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.366044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.366044 (E_RNA) where: Base-Base interactions energy: -122.884 where: short stacking energy: -63.431 Base-Backbone interact. energy: -0.006 local terms energy: -60.476504 where: bonds (distance) C4'-P energy: -10.999 bonds (distance) P-C4' energy: -12.513 flat angles C4'-P-C4' energy: -12.998 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -15.944 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: 1 ===================================== Write number: 186 Temperature: 1.050000 Total energy: -176.565215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.565215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.565215 (E_RNA) where: Base-Base interactions energy: -118.757 where: short stacking energy: -53.518 Base-Backbone interact. energy: 1.931 local terms energy: -59.739006 where: bonds (distance) C4'-P energy: -15.162 bonds (distance) P-C4' energy: -11.694 flat angles C4'-P-C4' energy: -10.585 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -12.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 186 Temperature: 1.100000 Total energy: -178.046095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.046095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.046095 (E_RNA) where: Base-Base interactions energy: -118.297 where: short stacking energy: -59.966 Base-Backbone interact. energy: 0.126 local terms energy: -59.874674 where: bonds (distance) C4'-P energy: -11.033 bonds (distance) P-C4' energy: -11.253 flat angles C4'-P-C4' energy: -14.739 flat angles P-C4'-P energy: -8.987 tors. eta vs tors. theta energy: -13.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 186 Temperature: 1.150000 Total energy: -162.367530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.367530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.367530 (E_RNA) where: Base-Base interactions energy: -103.530 where: short stacking energy: -45.683 Base-Backbone interact. energy: -0.114 local terms energy: -58.723093 where: bonds (distance) C4'-P energy: -13.790 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -12.887 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -11.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 186 Temperature: 1.200000 Total energy: -91.166024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.166024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.166024 (E_RNA) where: Base-Base interactions energy: -50.739 where: short stacking energy: -18.274 Base-Backbone interact. energy: 1.944 local terms energy: -42.370250 where: bonds (distance) C4'-P energy: -15.023 bonds (distance) P-C4' energy: -14.382 flat angles C4'-P-C4' energy: -6.391 flat angles P-C4'-P energy: -6.520 tors. eta vs tors. theta energy: -0.055 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 186 Temperature: 1.250000 Total energy: -101.486167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.486167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.486167 (E_RNA) where: Base-Base interactions energy: -48.911 where: short stacking energy: -39.794 Base-Backbone interact. energy: -0.159 local terms energy: -52.416035 where: bonds (distance) C4'-P energy: -8.913 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -11.289 flat angles P-C4'-P energy: -9.610 tors. eta vs tors. theta energy: -8.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 186 Temperature: 1.300000 Total energy: -76.082470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.082470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.082470 (E_RNA) where: Base-Base interactions energy: -31.544 where: short stacking energy: -21.590 Base-Backbone interact. energy: -0.326 local terms energy: -44.211891 where: bonds (distance) C4'-P energy: -12.278 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -5.099 flat angles P-C4'-P energy: -5.276 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: 10, replica: 2 ===================================== Write number: 186 Temperature: 1.350000 Total energy: -71.729028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.729028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.729028 (E_RNA) where: Base-Base interactions energy: -26.883 where: short stacking energy: -26.883 Base-Backbone interact. energy: 0.493 local terms energy: -45.338796 where: bonds (distance) C4'-P energy: -11.927 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -8.991 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -4.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 187 Temperature: 0.900000 Total energy: -210.478268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.478268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.478268 (E_RNA) where: Base-Base interactions energy: -138.848 where: short stacking energy: -68.968 Base-Backbone interact. energy: -0.002 local terms energy: -71.628081 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -14.610 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -11.988 tors. eta vs tors. theta energy: -18.475 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: 187 Temperature: 0.950000 Total energy: -192.245606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.245606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.245606 (E_RNA) where: Base-Base interactions energy: -121.959 where: short stacking energy: -64.020 Base-Backbone interact. energy: -0.435 local terms energy: -69.851678 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -12.683 flat angles C4'-P-C4' energy: -16.696 flat angles P-C4'-P energy: -9.606 tors. eta vs tors. theta energy: -16.469 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: 3 ===================================== Write number: 187 Temperature: 1.000000 Total energy: -189.468817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.468817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.468817 (E_RNA) where: Base-Base interactions energy: -126.864 where: short stacking energy: -58.330 Base-Backbone interact. energy: -0.005 local terms energy: -62.599904 where: bonds (distance) C4'-P energy: -8.123 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -8.760 tors. eta vs tors. theta energy: -15.944 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: 6 ===================================== Write number: 187 Temperature: 1.050000 Total energy: -186.359655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.359655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.359655 (E_RNA) where: Base-Base interactions energy: -118.791 where: short stacking energy: -61.039 Base-Backbone interact. energy: -0.017 local terms energy: -67.551762 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -17.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 187 Temperature: 1.100000 Total energy: -179.843976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.843976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.843976 (E_RNA) where: Base-Base interactions energy: -123.304 where: short stacking energy: -56.185 Base-Backbone interact. energy: -0.451 local terms energy: -56.088344 where: bonds (distance) C4'-P energy: -9.820 bonds (distance) P-C4' energy: -17.126 flat angles C4'-P-C4' energy: -11.351 flat angles P-C4'-P energy: -5.076 tors. eta vs tors. theta energy: -12.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 187 Temperature: 1.150000 Total energy: -174.012647 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.012647 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.012647 (E_RNA) where: Base-Base interactions energy: -112.925 where: short stacking energy: -59.280 Base-Backbone interact. energy: -1.029 local terms energy: -60.058510 where: bonds (distance) C4'-P energy: -13.435 bonds (distance) P-C4' energy: -10.079 flat angles C4'-P-C4' energy: -12.446 flat angles P-C4'-P energy: -7.361 tors. eta vs tors. theta energy: -16.738 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: 187 Temperature: 1.200000 Total energy: -96.196728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.196728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.196728 (E_RNA) where: Base-Base interactions energy: -43.760 where: short stacking energy: -27.944 Base-Backbone interact. energy: -0.144 local terms energy: -52.293648 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -9.086 flat angles C4'-P-C4' energy: -13.034 flat angles P-C4'-P energy: -10.492 tors. eta vs tors. theta energy: -5.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 187 Temperature: 1.250000 Total energy: -81.094784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.094784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.094784 (E_RNA) where: Base-Base interactions energy: -35.565 where: short stacking energy: -31.713 Base-Backbone interact. energy: -0.106 local terms energy: -45.424355 where: bonds (distance) C4'-P energy: -7.590 bonds (distance) P-C4' energy: -15.638 flat angles C4'-P-C4' energy: -13.858 flat angles P-C4'-P energy: -5.030 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: 9, replica: 8 ===================================== Write number: 187 Temperature: 1.300000 Total energy: -75.283172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.283172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.283172 (E_RNA) where: Base-Base interactions energy: -28.329 where: short stacking energy: -28.329 Base-Backbone interact. energy: -0.013 local terms energy: -46.940789 where: bonds (distance) C4'-P energy: -10.694 bonds (distance) P-C4' energy: -11.660 flat angles C4'-P-C4' energy: -11.474 flat angles P-C4'-P energy: -10.531 tors. eta vs tors. theta energy: -2.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 187 Temperature: 1.350000 Total energy: -81.314751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.314751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.314751 (E_RNA) where: Base-Base interactions energy: -34.857 where: short stacking energy: -34.505 Base-Backbone interact. energy: -0.073 local terms energy: -46.384822 where: bonds (distance) C4'-P energy: -7.318 bonds (distance) P-C4' energy: -10.811 flat angles C4'-P-C4' energy: -11.485 flat angles P-C4'-P energy: -8.335 tors. eta vs tors. theta energy: -8.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 188 Temperature: 0.900000 Total energy: -200.222192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.222192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.222192 (E_RNA) where: Base-Base interactions energy: -134.289 where: short stacking energy: -67.065 Base-Backbone interact. energy: 0.791 local terms energy: -66.723745 where: bonds (distance) C4'-P energy: -9.024 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -14.186 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -17.849 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 188 Temperature: 0.950000 Total energy: -196.436750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.436750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.436750 (E_RNA) where: Base-Base interactions energy: -133.137 where: short stacking energy: -60.235 Base-Backbone interact. energy: -0.108 local terms energy: -63.191539 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -13.487 flat angles P-C4'-P energy: -8.161 tors. eta vs tors. theta energy: -16.207 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: 3 ===================================== Write number: 188 Temperature: 1.000000 Total energy: -191.111501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.111501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.111501 (E_RNA) where: Base-Base interactions energy: -125.142 where: short stacking energy: -63.025 Base-Backbone interact. energy: -0.003 local terms energy: -65.966421 where: bonds (distance) C4'-P energy: -11.858 bonds (distance) P-C4' energy: -12.803 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -8.902 tors. eta vs tors. theta energy: -18.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 188 Temperature: 1.050000 Total energy: -182.590152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.590152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.590152 (E_RNA) where: Base-Base interactions energy: -122.600 where: short stacking energy: -53.366 Base-Backbone interact. energy: -0.079 local terms energy: -59.911562 where: bonds (distance) C4'-P energy: -11.763 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -5.608 tors. eta vs tors. theta energy: -16.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 188 Temperature: 1.100000 Total energy: -177.461750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.461750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.461750 (E_RNA) where: Base-Base interactions energy: -114.461 where: short stacking energy: -51.274 Base-Backbone interact. energy: 0.106 local terms energy: -63.106377 where: bonds (distance) C4'-P energy: -11.717 bonds (distance) P-C4' energy: -13.205 flat angles C4'-P-C4' energy: -14.796 flat angles P-C4'-P energy: -9.830 tors. eta vs tors. theta energy: -13.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 188 Temperature: 1.150000 Total energy: -165.903406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.903406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.903406 (E_RNA) where: Base-Base interactions energy: -103.984 where: short stacking energy: -57.106 Base-Backbone interact. energy: -0.025 local terms energy: -61.895110 where: bonds (distance) C4'-P energy: -11.017 bonds (distance) P-C4' energy: -15.696 flat angles C4'-P-C4' energy: -10.220 flat angles P-C4'-P energy: -9.978 tors. eta vs tors. theta energy: -14.984 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: 7 ===================================== Write number: 188 Temperature: 1.200000 Total energy: -83.551871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.551871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.551871 (E_RNA) where: Base-Base interactions energy: -44.446 where: short stacking energy: -29.985 Base-Backbone interact. energy: -0.149 local terms energy: -38.956333 where: bonds (distance) C4'-P energy: -9.482 bonds (distance) P-C4' energy: -13.705 flat angles C4'-P-C4' energy: -10.542 flat angles P-C4'-P energy: -7.752 tors. eta vs tors. theta energy: 2.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 188 Temperature: 1.250000 Total energy: -81.786363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.786363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.786363 (E_RNA) where: Base-Base interactions energy: -37.010 where: short stacking energy: -33.023 Base-Backbone interact. energy: -0.837 local terms energy: -43.939131 where: bonds (distance) C4'-P energy: -8.938 bonds (distance) P-C4' energy: -12.473 flat angles C4'-P-C4' energy: -11.813 flat angles P-C4'-P energy: -8.008 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: 2 ===================================== Write number: 188 Temperature: 1.300000 Total energy: -76.436299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.436299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.436299 (E_RNA) where: Base-Base interactions energy: -29.117 where: short stacking energy: -23.984 Base-Backbone interact. energy: 0.080 local terms energy: -47.400118 where: bonds (distance) C4'-P energy: -10.987 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -5.979 tors. eta vs tors. theta energy: -1.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 188 Temperature: 1.350000 Total energy: -78.157224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.157224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.157224 (E_RNA) where: Base-Base interactions energy: -32.723 where: short stacking energy: -26.581 Base-Backbone interact. energy: -0.125 local terms energy: -45.309846 where: bonds (distance) C4'-P energy: -12.391 bonds (distance) P-C4' energy: -10.759 flat angles C4'-P-C4' energy: -12.054 flat angles P-C4'-P energy: -7.193 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: 1, replica: 9 ===================================== Write number: 189 Temperature: 0.900000 Total energy: -205.565117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.565117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.565117 (E_RNA) where: Base-Base interactions energy: -132.492 where: short stacking energy: -65.724 Base-Backbone interact. energy: 0.204 local terms energy: -73.277257 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -11.102 flat angles C4'-P-C4' energy: -15.611 flat angles P-C4'-P energy: -11.798 tors. eta vs tors. theta energy: -20.587 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: 4 ===================================== Write number: 189 Temperature: 0.950000 Total energy: -209.939093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.939093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.939093 (E_RNA) where: Base-Base interactions energy: -141.749 where: short stacking energy: -61.652 Base-Backbone interact. energy: -0.347 local terms energy: -67.843465 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -15.012 flat angles P-C4'-P energy: -12.356 tors. eta vs tors. theta energy: -12.551 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: 3, replica: 3 ===================================== Write number: 189 Temperature: 1.000000 Total energy: -193.158668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.158668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.158668 (E_RNA) where: Base-Base interactions energy: -127.659 where: short stacking energy: -61.360 Base-Backbone interact. energy: -0.792 local terms energy: -64.707703 where: bonds (distance) C4'-P energy: -12.470 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -14.258 flat angles P-C4'-P energy: -8.440 tors. eta vs tors. theta energy: -17.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 189 Temperature: 1.050000 Total energy: -181.735897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.735897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.735897 (E_RNA) where: Base-Base interactions energy: -115.631 where: short stacking energy: -53.512 Base-Backbone interact. energy: -0.046 local terms energy: -66.059157 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -14.745 flat angles C4'-P-C4' energy: -10.371 flat angles P-C4'-P energy: -11.502 tors. eta vs tors. theta energy: -16.363 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: 5, replica: 10 ===================================== Write number: 189 Temperature: 1.100000 Total energy: -164.507680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.507680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.507680 (E_RNA) where: Base-Base interactions energy: -107.460 where: short stacking energy: -43.736 Base-Backbone interact. energy: -0.209 local terms energy: -56.838711 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -9.219 flat angles P-C4'-P energy: -9.948 tors. eta vs tors. theta energy: -12.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 189 Temperature: 1.150000 Total energy: -171.536109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.536109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.536109 (E_RNA) where: Base-Base interactions energy: -109.133 where: short stacking energy: -51.343 Base-Backbone interact. energy: -0.002 local terms energy: -62.401035 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -11.304 flat angles C4'-P-C4' energy: -15.792 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -13.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 189 Temperature: 1.200000 Total energy: -90.828994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.828994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.828994 (E_RNA) where: Base-Base interactions energy: -41.248 where: short stacking energy: -26.968 Base-Backbone interact. energy: -0.100 local terms energy: -49.481254 where: bonds (distance) C4'-P energy: -12.243 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -9.115 flat angles P-C4'-P energy: -9.532 tors. eta vs tors. theta energy: -4.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 189 Temperature: 1.250000 Total energy: -88.681834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.681834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.681834 (E_RNA) where: Base-Base interactions energy: -41.891 where: short stacking energy: -34.666 Base-Backbone interact. energy: -0.062 local terms energy: -46.728912 where: bonds (distance) C4'-P energy: -3.125 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -8.679 tors. eta vs tors. theta energy: -6.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 189 Temperature: 1.300000 Total energy: -82.997179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.997179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.997179 (E_RNA) where: Base-Base interactions energy: -32.105 where: short stacking energy: -28.685 Base-Backbone interact. energy: -0.479 local terms energy: -50.412702 where: bonds (distance) C4'-P energy: -14.852 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -13.818 flat angles P-C4'-P energy: -7.959 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 189 Temperature: 1.350000 Total energy: -67.149041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.149041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.149041 (E_RNA) where: Base-Base interactions energy: -22.159 where: short stacking energy: -22.159 Base-Backbone interact. energy: -0.301 local terms energy: -44.689355 where: bonds (distance) C4'-P energy: -12.256 bonds (distance) P-C4' energy: -14.736 flat angles C4'-P-C4' energy: -11.816 flat angles P-C4'-P energy: -7.867 tors. eta vs tors. theta energy: 1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 190 Temperature: 0.900000 Total energy: -210.684566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.684566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.684566 (E_RNA) where: Base-Base interactions energy: -142.751 where: short stacking energy: -69.997 Base-Backbone interact. energy: -0.292 local terms energy: -67.641580 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -13.348 flat angles C4'-P-C4' energy: -16.063 flat angles P-C4'-P energy: -6.046 tors. eta vs tors. theta energy: -19.732 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: 4 ===================================== Write number: 190 Temperature: 0.950000 Total energy: -204.084084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.084084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.084084 (E_RNA) where: Base-Base interactions energy: -134.639 where: short stacking energy: -66.142 Base-Backbone interact. energy: -0.016 local terms energy: -69.429274 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -14.609 flat angles C4'-P-C4' energy: -11.579 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -20.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 190 Temperature: 1.000000 Total energy: -194.347417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.347417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.347417 (E_RNA) where: Base-Base interactions energy: -130.406 where: short stacking energy: -60.194 Base-Backbone interact. energy: -0.126 local terms energy: -63.815363 where: bonds (distance) C4'-P energy: -11.733 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -14.557 flat angles P-C4'-P energy: -5.274 tors. eta vs tors. theta energy: -16.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 190 Temperature: 1.050000 Total energy: -193.223337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.223337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.223337 (E_RNA) where: Base-Base interactions energy: -127.204 where: short stacking energy: -55.094 Base-Backbone interact. energy: 1.241 local terms energy: -67.260072 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -12.160 flat angles C4'-P-C4' energy: -13.454 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -18.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 190 Temperature: 1.100000 Total energy: -188.043088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.043088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.043088 (E_RNA) where: Base-Base interactions energy: -119.037 where: short stacking energy: -59.874 Base-Backbone interact. energy: -0.575 local terms energy: -68.431284 where: bonds (distance) C4'-P energy: -13.269 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -10.617 flat angles P-C4'-P energy: -12.117 tors. eta vs tors. theta energy: -16.277 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: 10 ===================================== Write number: 190 Temperature: 1.150000 Total energy: -154.658952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.658952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.658952 (E_RNA) where: Base-Base interactions energy: -102.013 where: short stacking energy: -50.402 Base-Backbone interact. energy: -0.015 local terms energy: -52.631194 where: bonds (distance) C4'-P energy: -10.581 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -13.420 flat angles P-C4'-P energy: -7.086 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: 7, replica: 5 ===================================== Write number: 190 Temperature: 1.200000 Total energy: -85.191887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.191887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.191887 (E_RNA) where: Base-Base interactions energy: -43.423 where: short stacking energy: -33.288 Base-Backbone interact. energy: -0.088 local terms energy: -41.680951 where: bonds (distance) C4'-P energy: -13.712 bonds (distance) P-C4' energy: -8.085 flat angles C4'-P-C4' energy: -9.298 flat angles P-C4'-P energy: -5.441 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: 8, replica: 7 ===================================== Write number: 190 Temperature: 1.250000 Total energy: -86.361700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.361700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.361700 (E_RNA) where: Base-Base interactions energy: -35.622 where: short stacking energy: -33.876 Base-Backbone interact. energy: -0.105 local terms energy: -50.634401 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -12.557 flat angles C4'-P-C4' energy: -11.269 flat angles P-C4'-P energy: -7.277 tors. eta vs tors. theta energy: -7.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 190 Temperature: 1.300000 Total energy: -79.059930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.059930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.059930 (E_RNA) where: Base-Base interactions energy: -33.035 where: short stacking energy: -31.322 Base-Backbone interact. energy: -0.107 local terms energy: -45.918575 where: bonds (distance) C4'-P energy: -10.119 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -12.104 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -3.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 190 Temperature: 1.350000 Total energy: -78.326682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.326682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.326682 (E_RNA) where: Base-Base interactions energy: -31.493 where: short stacking energy: -22.380 Base-Backbone interact. energy: -0.029 local terms energy: -46.805267 where: bonds (distance) C4'-P energy: -10.225 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -10.812 flat angles P-C4'-P energy: -9.815 tors. eta vs tors. theta energy: -2.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 191 Temperature: 0.900000 Total energy: -203.184725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.184725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.184725 (E_RNA) where: Base-Base interactions energy: -130.201 where: short stacking energy: -64.766 Base-Backbone interact. energy: -0.008 local terms energy: -72.975339 where: bonds (distance) C4'-P energy: -13.299 bonds (distance) P-C4' energy: -15.457 flat angles C4'-P-C4' energy: -14.866 flat angles P-C4'-P energy: -11.945 tors. eta vs tors. theta energy: -17.409 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: 6 ===================================== Write number: 191 Temperature: 0.950000 Total energy: -200.378435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.378435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.378435 (E_RNA) where: Base-Base interactions energy: -131.172 where: short stacking energy: -64.248 Base-Backbone interact. energy: -0.177 local terms energy: -69.030219 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -14.526 flat angles P-C4'-P energy: -9.593 tors. eta vs tors. theta energy: -17.127 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 191 Temperature: 1.000000 Total energy: -193.194189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.194189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.194189 (E_RNA) where: Base-Base interactions energy: -126.556 where: short stacking energy: -55.816 Base-Backbone interact. energy: 0.569 local terms energy: -67.207483 where: bonds (distance) C4'-P energy: -14.018 bonds (distance) P-C4' energy: -9.968 flat angles C4'-P-C4' energy: -14.951 flat angles P-C4'-P energy: -9.437 tors. eta vs tors. theta energy: -18.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 191 Temperature: 1.050000 Total energy: -175.134695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.134695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.134695 (E_RNA) where: Base-Base interactions energy: -115.679 where: short stacking energy: -39.204 Base-Backbone interact. energy: -0.028 local terms energy: -59.427473 where: bonds (distance) C4'-P energy: -13.808 bonds (distance) P-C4' energy: -9.943 flat angles C4'-P-C4' energy: -12.365 flat angles P-C4'-P energy: -9.171 tors. eta vs tors. theta energy: -14.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 191 Temperature: 1.100000 Total energy: -174.624607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.624607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.624607 (E_RNA) where: Base-Base interactions energy: -108.708 where: short stacking energy: -52.661 Base-Backbone interact. energy: -0.015 local terms energy: -65.902127 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -11.584 flat angles C4'-P-C4' energy: -13.605 flat angles P-C4'-P energy: -11.558 tors. eta vs tors. theta energy: -15.803 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: 6, replica: 10 ===================================== Write number: 191 Temperature: 1.150000 Total energy: -167.517608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.517608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.517608 (E_RNA) where: Base-Base interactions energy: -101.955 where: short stacking energy: -46.204 Base-Backbone interact. energy: -0.097 local terms energy: -65.466394 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -14.102 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -8.988 tors. eta vs tors. theta energy: -13.388 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: 5 ===================================== Write number: 191 Temperature: 1.200000 Total energy: -92.788783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.788783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.788783 (E_RNA) where: Base-Base interactions energy: -39.681 where: short stacking energy: -28.008 Base-Backbone interact. energy: -0.128 local terms energy: -52.979787 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -14.567 flat angles C4'-P-C4' energy: -11.090 flat angles P-C4'-P energy: -7.840 tors. eta vs tors. theta energy: -6.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 191 Temperature: 1.250000 Total energy: -77.839570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.839570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.839570 (E_RNA) where: Base-Base interactions energy: -25.997 where: short stacking energy: -19.800 Base-Backbone interact. energy: -0.063 local terms energy: -51.779491 where: bonds (distance) C4'-P energy: -14.929 bonds (distance) P-C4' energy: -14.356 flat angles C4'-P-C4' energy: -12.254 flat angles P-C4'-P energy: -5.884 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: 9, replica: 7 ===================================== Write number: 191 Temperature: 1.300000 Total energy: -74.227724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.227724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.227724 (E_RNA) where: Base-Base interactions energy: -24.381 where: short stacking energy: -24.581 Base-Backbone interact. energy: -0.062 local terms energy: -49.784829 where: bonds (distance) C4'-P energy: -14.970 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -7.594 flat angles P-C4'-P energy: -6.014 tors. eta vs tors. theta energy: -6.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 191 Temperature: 1.350000 Total energy: -83.544760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.544760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.544760 (E_RNA) where: Base-Base interactions energy: -33.843 where: short stacking energy: -24.814 Base-Backbone interact. energy: 0.431 local terms energy: -50.132589 where: bonds (distance) C4'-P energy: -13.314 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -10.935 flat angles P-C4'-P energy: -7.546 tors. eta vs tors. theta energy: -4.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 192 Temperature: 0.900000 Total energy: -198.390683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.390683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.390683 (E_RNA) where: Base-Base interactions energy: -125.793 where: short stacking energy: -59.981 Base-Backbone interact. energy: -0.092 local terms energy: -72.505907 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -15.093 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -19.252 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: 2, replica: 9 ===================================== Write number: 192 Temperature: 0.950000 Total energy: -206.684317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.684317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.684317 (E_RNA) where: Base-Base interactions energy: -134.054 where: short stacking energy: -65.717 Base-Backbone interact. energy: -0.591 local terms energy: -72.039299 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -14.123 flat angles C4'-P-C4' energy: -13.924 flat angles P-C4'-P energy: -9.637 tors. eta vs tors. theta energy: -19.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 192 Temperature: 1.000000 Total energy: -190.480567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.480567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.480567 (E_RNA) where: Base-Base interactions energy: -124.896 where: short stacking energy: -59.085 Base-Backbone interact. energy: -0.118 local terms energy: -65.466326 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -10.586 flat angles C4'-P-C4' energy: -12.104 flat angles P-C4'-P energy: -12.741 tors. eta vs tors. theta energy: -16.752 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: 4, replica: 4 ===================================== Write number: 192 Temperature: 1.050000 Total energy: -201.832808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.832808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.832808 (E_RNA) where: Base-Base interactions energy: -136.401 where: short stacking energy: -68.713 Base-Backbone interact. energy: -0.001 local terms energy: -65.431130 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -11.509 flat angles C4'-P-C4' energy: -12.744 flat angles P-C4'-P energy: -7.390 tors. eta vs tors. theta energy: -19.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 192 Temperature: 1.100000 Total energy: -168.666329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.666329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.666329 (E_RNA) where: Base-Base interactions energy: -113.801 where: short stacking energy: -49.665 Base-Backbone interact. energy: 0.723 local terms energy: -55.588846 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -11.641 flat angles C4'-P-C4' energy: -9.285 flat angles P-C4'-P energy: -8.081 tors. eta vs tors. theta energy: -12.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 192 Temperature: 1.150000 Total energy: -167.717499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.717499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.717499 (E_RNA) where: Base-Base interactions energy: -115.064 where: short stacking energy: -43.045 Base-Backbone interact. energy: -0.104 local terms energy: -52.549449 where: bonds (distance) C4'-P energy: -10.794 bonds (distance) P-C4' energy: -14.506 flat angles C4'-P-C4' energy: -9.712 flat angles P-C4'-P energy: -6.496 tors. eta vs tors. theta energy: -11.041 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: 8 ===================================== Write number: 192 Temperature: 1.200000 Total energy: -79.507972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.507972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.507972 (E_RNA) where: Base-Base interactions energy: -36.587 where: short stacking energy: -36.587 Base-Backbone interact. energy: -0.096 local terms energy: -42.824191 where: bonds (distance) C4'-P energy: -7.698 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -10.254 flat angles P-C4'-P energy: -6.230 tors. eta vs tors. theta energy: -4.560 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 192 Temperature: 1.250000 Total energy: -80.316599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.316599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.316599 (E_RNA) where: Base-Base interactions energy: -33.158 where: short stacking energy: -19.062 Base-Backbone interact. energy: -0.592 local terms energy: -46.567153 where: bonds (distance) C4'-P energy: -13.348 bonds (distance) P-C4' energy: -10.089 flat angles C4'-P-C4' energy: -13.208 flat angles P-C4'-P energy: -6.596 tors. eta vs tors. theta energy: -3.326 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 192 Temperature: 1.300000 Total energy: -85.326089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.326089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.326089 (E_RNA) where: Base-Base interactions energy: -44.275 where: short stacking energy: -33.315 Base-Backbone interact. energy: -0.112 local terms energy: -40.939047 where: bonds (distance) C4'-P energy: -14.118 bonds (distance) P-C4' energy: -9.281 flat angles C4'-P-C4' energy: -7.522 flat angles P-C4'-P energy: -7.660 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: 10, replica: 7 ===================================== Write number: 192 Temperature: 1.350000 Total energy: -81.078327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.078327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.078327 (E_RNA) where: Base-Base interactions energy: -37.796 where: short stacking energy: -24.776 Base-Backbone interact. energy: -0.074 local terms energy: -43.207567 where: bonds (distance) C4'-P energy: -9.161 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -8.185 flat angles P-C4'-P energy: -3.829 tors. eta vs tors. theta energy: -6.985 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 193 Temperature: 0.900000 Total energy: -193.220457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.220457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.220457 (E_RNA) where: Base-Base interactions energy: -129.683 where: short stacking energy: -57.106 Base-Backbone interact. energy: 0.525 local terms energy: -64.062259 where: bonds (distance) C4'-P energy: -13.057 bonds (distance) P-C4' energy: -13.531 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -6.449 tors. eta vs tors. theta energy: -16.931 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 193 Temperature: 0.950000 Total energy: -194.123612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.123612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.123612 (E_RNA) where: Base-Base interactions energy: -127.907 where: short stacking energy: -61.161 Base-Backbone interact. energy: -0.002 local terms energy: -66.214919 where: bonds (distance) C4'-P energy: -10.930 bonds (distance) P-C4' energy: -14.385 flat angles C4'-P-C4' energy: -13.515 flat angles P-C4'-P energy: -8.940 tors. eta vs tors. theta energy: -18.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 193 Temperature: 1.000000 Total energy: -203.674339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.674339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.674339 (E_RNA) where: Base-Base interactions energy: -135.055 where: short stacking energy: -61.650 Base-Backbone interact. energy: -0.682 local terms energy: -67.937472 where: bonds (distance) C4'-P energy: -10.521 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -14.351 flat angles P-C4'-P energy: -11.492 tors. eta vs tors. theta energy: -15.585 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: 4 ===================================== Write number: 193 Temperature: 1.050000 Total energy: -192.406889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.406889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.406889 (E_RNA) where: Base-Base interactions energy: -124.154 where: short stacking energy: -57.263 Base-Backbone interact. energy: -0.536 local terms energy: -67.717247 where: bonds (distance) C4'-P energy: -10.364 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -15.511 flat angles P-C4'-P energy: -8.919 tors. eta vs tors. theta energy: -17.889 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: 10 ===================================== Write number: 193 Temperature: 1.100000 Total energy: -174.085158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.085158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.085158 (E_RNA) where: Base-Base interactions energy: -114.792 where: short stacking energy: -54.267 Base-Backbone interact. energy: -0.050 local terms energy: -59.243050 where: bonds (distance) C4'-P energy: -10.382 bonds (distance) P-C4' energy: -11.187 flat angles C4'-P-C4' energy: -13.702 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -15.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 193 Temperature: 1.150000 Total energy: -159.836611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.836611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.836611 (E_RNA) where: Base-Base interactions energy: -98.286 where: short stacking energy: -42.641 Base-Backbone interact. energy: -0.005 local terms energy: -61.545548 where: bonds (distance) C4'-P energy: -11.930 bonds (distance) P-C4' energy: -17.144 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -9.803 tors. eta vs tors. theta energy: -10.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 193 Temperature: 1.200000 Total energy: -83.209005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.209005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.209005 (E_RNA) where: Base-Base interactions energy: -32.237 where: short stacking energy: -26.233 Base-Backbone interact. energy: -0.180 local terms energy: -50.792597 where: bonds (distance) C4'-P energy: -10.752 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -9.015 flat angles P-C4'-P energy: -11.391 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: 8, replica: 5 ===================================== Write number: 193 Temperature: 1.250000 Total energy: -84.890137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.890137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.890137 (E_RNA) where: Base-Base interactions energy: -30.665 where: short stacking energy: -30.003 Base-Backbone interact. energy: -0.287 local terms energy: -53.937933 where: bonds (distance) C4'-P energy: -12.913 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -13.898 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -7.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 193 Temperature: 1.300000 Total energy: -72.579574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.579574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.579574 (E_RNA) where: Base-Base interactions energy: -31.948 where: short stacking energy: -24.061 Base-Backbone interact. energy: -0.208 local terms energy: -40.423213 where: bonds (distance) C4'-P energy: -7.340 bonds (distance) P-C4' energy: -14.834 flat angles C4'-P-C4' energy: -7.957 flat angles P-C4'-P energy: -6.999 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: 10, replica: 7 ===================================== Write number: 193 Temperature: 1.350000 Total energy: -82.269749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.269749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.269749 (E_RNA) where: Base-Base interactions energy: -39.477 where: short stacking energy: -24.321 Base-Backbone interact. energy: 2.869 local terms energy: -45.661605 where: bonds (distance) C4'-P energy: -14.499 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -10.578 flat angles P-C4'-P energy: -6.080 tors. eta vs tors. theta energy: -1.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 194 Temperature: 0.900000 Total energy: -200.638379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.638379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.638379 (E_RNA) where: Base-Base interactions energy: -136.628 where: short stacking energy: -62.577 Base-Backbone interact. energy: -0.030 local terms energy: -63.980425 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -9.999 flat angles P-C4'-P energy: -8.468 tors. eta vs tors. theta energy: -17.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 194 Temperature: 0.950000 Total energy: -195.557196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.557196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.557196 (E_RNA) where: Base-Base interactions energy: -126.049 where: short stacking energy: -69.026 Base-Backbone interact. energy: -0.003 local terms energy: -69.505407 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -10.451 flat angles C4'-P-C4' energy: -14.367 flat angles P-C4'-P energy: -10.245 tors. eta vs tors. theta energy: -19.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 194 Temperature: 1.000000 Total energy: -197.455000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.455000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.455000 (E_RNA) where: Base-Base interactions energy: -126.421 where: short stacking energy: -65.367 Base-Backbone interact. energy: -0.086 local terms energy: -70.948720 where: bonds (distance) C4'-P energy: -15.823 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -13.002 flat angles P-C4'-P energy: -8.322 tors. eta vs tors. theta energy: -17.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 194 Temperature: 1.050000 Total energy: -189.879477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.879477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.879477 (E_RNA) where: Base-Base interactions energy: -131.365 where: short stacking energy: -65.422 Base-Backbone interact. energy: -0.178 local terms energy: -58.335795 where: bonds (distance) C4'-P energy: -10.098 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -4.583 tors. eta vs tors. theta energy: -15.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 194 Temperature: 1.100000 Total energy: -181.204628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.204628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.204628 (E_RNA) where: Base-Base interactions energy: -117.705 where: short stacking energy: -53.620 Base-Backbone interact. energy: -0.001 local terms energy: -63.498383 where: bonds (distance) C4'-P energy: -12.569 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -14.856 flat angles P-C4'-P energy: -6.406 tors. eta vs tors. theta energy: -14.340 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: 194 Temperature: 1.150000 Total energy: -155.375547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.375547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.375547 (E_RNA) where: Base-Base interactions energy: -100.592 where: short stacking energy: -49.680 Base-Backbone interact. energy: -0.013 local terms energy: -54.770094 where: bonds (distance) C4'-P energy: -8.268 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -12.035 flat angles P-C4'-P energy: -6.646 tors. eta vs tors. theta energy: -13.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 194 Temperature: 1.200000 Total energy: -81.733896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.733896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.733896 (E_RNA) where: Base-Base interactions energy: -31.180 where: short stacking energy: -31.180 Base-Backbone interact. energy: -0.036 local terms energy: -50.518643 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -5.835 tors. eta vs tors. theta energy: -3.594 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 194 Temperature: 1.250000 Total energy: -92.600190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.600190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.600190 (E_RNA) where: Base-Base interactions energy: -36.166 where: short stacking energy: -29.009 Base-Backbone interact. energy: -0.001 local terms energy: -56.433056 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -14.318 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -9.842 tors. eta vs tors. theta energy: -5.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 194 Temperature: 1.300000 Total energy: -86.387433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.387433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.387433 (E_RNA) where: Base-Base interactions energy: -38.241 where: short stacking energy: -33.008 Base-Backbone interact. energy: -0.072 local terms energy: -48.074365 where: bonds (distance) C4'-P energy: -11.638 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -10.230 flat angles P-C4'-P energy: -10.963 tors. eta vs tors. theta energy: -1.518 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 194 Temperature: 1.350000 Total energy: -75.900872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.900872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.900872 (E_RNA) where: Base-Base interactions energy: -33.655 where: short stacking energy: -20.464 Base-Backbone interact. energy: -0.094 local terms energy: -42.152020 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -8.062 flat angles C4'-P-C4' energy: -8.632 flat angles P-C4'-P energy: -9.279 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: 1, replica: 6 ===================================== Write number: 195 Temperature: 0.900000 Total energy: -195.746843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.746843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.746843 (E_RNA) where: Base-Base interactions energy: -134.228 where: short stacking energy: -61.891 Base-Backbone interact. energy: -0.003 local terms energy: -61.515931 where: bonds (distance) C4'-P energy: -7.068 bonds (distance) P-C4' energy: -15.162 flat angles C4'-P-C4' energy: -14.060 flat angles P-C4'-P energy: -6.664 tors. eta vs tors. theta energy: -18.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 195 Temperature: 0.950000 Total energy: -202.078451 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.078451 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.078451 (E_RNA) where: Base-Base interactions energy: -136.718 where: short stacking energy: -66.672 Base-Backbone interact. energy: -0.621 local terms energy: -64.739768 where: bonds (distance) C4'-P energy: -8.869 bonds (distance) P-C4' energy: -12.581 flat angles C4'-P-C4' energy: -15.410 flat angles P-C4'-P energy: -11.580 tors. eta vs tors. theta energy: -16.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 195 Temperature: 1.000000 Total energy: -194.189818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.189818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.189818 (E_RNA) where: Base-Base interactions energy: -127.351 where: short stacking energy: -60.648 Base-Backbone interact. energy: -0.101 local terms energy: -66.737821 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -13.958 flat angles C4'-P-C4' energy: -14.406 flat angles P-C4'-P energy: -8.120 tors. eta vs tors. theta energy: -17.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 195 Temperature: 1.050000 Total energy: -185.041191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.041191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.041191 (E_RNA) where: Base-Base interactions energy: -118.882 where: short stacking energy: -59.917 Base-Backbone interact. energy: 0.484 local terms energy: -66.642681 where: bonds (distance) C4'-P energy: -15.935 bonds (distance) P-C4' energy: -10.462 flat angles C4'-P-C4' energy: -12.288 flat angles P-C4'-P energy: -11.626 tors. eta vs tors. theta energy: -16.331 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 195 Temperature: 1.100000 Total energy: -178.589353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.589353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.589353 (E_RNA) where: Base-Base interactions energy: -113.854 where: short stacking energy: -48.049 Base-Backbone interact. energy: -0.007 local terms energy: -64.728242 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -11.241 tors. eta vs tors. theta energy: -16.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 195 Temperature: 1.150000 Total energy: -170.425570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.425570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.425570 (E_RNA) where: Base-Base interactions energy: -107.876 where: short stacking energy: -51.418 Base-Backbone interact. energy: -0.018 local terms energy: -62.532017 where: bonds (distance) C4'-P energy: -15.340 bonds (distance) P-C4' energy: -14.311 flat angles C4'-P-C4' energy: -13.564 flat angles P-C4'-P energy: -7.159 tors. eta vs tors. theta energy: -12.158 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: 7, replica: 5 ===================================== Write number: 195 Temperature: 1.200000 Total energy: -85.924504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.924504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.924504 (E_RNA) where: Base-Base interactions energy: -47.279 where: short stacking energy: -30.277 Base-Backbone interact. energy: -0.234 local terms energy: -38.410796 where: bonds (distance) C4'-P energy: -7.056 bonds (distance) P-C4' energy: -13.662 flat angles C4'-P-C4' energy: -9.393 flat angles P-C4'-P energy: -3.998 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: 8, replica: 7 ===================================== Write number: 195 Temperature: 1.250000 Total energy: -73.675693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.675693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.675693 (E_RNA) where: Base-Base interactions energy: -23.709 where: short stacking energy: -21.511 Base-Backbone interact. energy: -0.087 local terms energy: -49.879777 where: bonds (distance) C4'-P energy: -12.723 bonds (distance) P-C4' energy: -12.954 flat angles C4'-P-C4' energy: -10.676 flat angles P-C4'-P energy: -11.469 tors. eta vs tors. theta energy: -2.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 195 Temperature: 1.300000 Total energy: -82.766495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.766495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.766495 (E_RNA) where: Base-Base interactions energy: -40.755 where: short stacking energy: -25.601 Base-Backbone interact. energy: 1.696 local terms energy: -43.707677 where: bonds (distance) C4'-P energy: -11.169 bonds (distance) P-C4' energy: -5.193 flat angles C4'-P-C4' energy: -12.294 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -6.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 195 Temperature: 1.350000 Total energy: -76.024775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.024775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.024775 (E_RNA) where: Base-Base interactions energy: -36.391 where: short stacking energy: -30.612 Base-Backbone interact. energy: 0.797 local terms energy: -40.430520 where: bonds (distance) C4'-P energy: -10.180 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -12.260 flat angles P-C4'-P energy: -1.784 tors. eta vs tors. theta energy: -1.868 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 196 Temperature: 0.900000 Total energy: -195.637719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.637719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.637719 (E_RNA) where: Base-Base interactions energy: -125.108 where: short stacking energy: -64.177 Base-Backbone interact. energy: -0.044 local terms energy: -70.485961 where: bonds (distance) C4'-P energy: -14.771 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -14.251 flat angles P-C4'-P energy: -6.265 tors. eta vs tors. theta energy: -20.779 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: 2, replica: 4 ===================================== Write number: 196 Temperature: 0.950000 Total energy: -211.010883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.010883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.010883 (E_RNA) where: Base-Base interactions energy: -143.278 where: short stacking energy: -64.876 Base-Backbone interact. energy: -0.029 local terms energy: -67.703987 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -13.515 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -7.457 tors. eta vs tors. theta energy: -17.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 196 Temperature: 1.000000 Total energy: -189.262095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.262095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.262095 (E_RNA) where: Base-Base interactions energy: -117.574 where: short stacking energy: -49.288 Base-Backbone interact. energy: -0.971 local terms energy: -70.717823 where: bonds (distance) C4'-P energy: -14.746 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -11.139 flat angles P-C4'-P energy: -13.396 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 196 Temperature: 1.050000 Total energy: -179.577637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.577637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.577637 (E_RNA) where: Base-Base interactions energy: -114.593 where: short stacking energy: -55.567 Base-Backbone interact. energy: -0.159 local terms energy: -64.825023 where: bonds (distance) C4'-P energy: -10.099 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -15.558 flat angles P-C4'-P energy: -7.027 tors. eta vs tors. theta energy: -17.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 196 Temperature: 1.100000 Total energy: -171.099023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.099023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.099023 (E_RNA) where: Base-Base interactions energy: -109.418 where: short stacking energy: -44.458 Base-Backbone interact. energy: -0.194 local terms energy: -61.486594 where: bonds (distance) C4'-P energy: -11.857 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -12.863 flat angles P-C4'-P energy: -7.168 tors. eta vs tors. theta energy: -15.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 196 Temperature: 1.150000 Total energy: -183.977054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.977054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.977054 (E_RNA) where: Base-Base interactions energy: -125.099 where: short stacking energy: -60.553 Base-Backbone interact. energy: -0.699 local terms energy: -58.179078 where: bonds (distance) C4'-P energy: -8.628 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -13.956 flat angles P-C4'-P energy: -4.376 tors. eta vs tors. theta energy: -17.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 196 Temperature: 1.200000 Total energy: -102.097769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.097769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.097769 (E_RNA) where: Base-Base interactions energy: -49.254 where: short stacking energy: -37.742 Base-Backbone interact. energy: -0.059 local terms energy: -52.784050 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -13.236 flat angles P-C4'-P energy: -9.648 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: 5 ===================================== Write number: 196 Temperature: 1.250000 Total energy: -80.600681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.600681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.600681 (E_RNA) where: Base-Base interactions energy: -26.252 where: short stacking energy: -26.252 Base-Backbone interact. energy: -0.115 local terms energy: -54.233700 where: bonds (distance) C4'-P energy: -12.258 bonds (distance) P-C4' energy: -12.167 flat angles C4'-P-C4' energy: -11.606 flat angles P-C4'-P energy: -11.610 tors. eta vs tors. theta energy: -6.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 196 Temperature: 1.300000 Total energy: -86.105479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.105479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.105479 (E_RNA) where: Base-Base interactions energy: -45.521 where: short stacking energy: -23.121 Base-Backbone interact. energy: -0.526 local terms energy: -40.058366 where: bonds (distance) C4'-P energy: -8.831 bonds (distance) P-C4' energy: -15.497 flat angles C4'-P-C4' energy: -7.665 flat angles P-C4'-P energy: -6.078 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: 10, replica: 8 ===================================== Write number: 196 Temperature: 1.350000 Total energy: -72.497578 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.497578 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.497578 (E_RNA) where: Base-Base interactions energy: -29.140 where: short stacking energy: -29.140 Base-Backbone interact. energy: -0.138 local terms energy: -43.218951 where: bonds (distance) C4'-P energy: -11.973 bonds (distance) P-C4' energy: -12.204 flat angles C4'-P-C4' energy: -8.630 flat angles P-C4'-P energy: -7.752 tors. eta vs tors. theta energy: -2.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 197 Temperature: 0.900000 Total energy: -200.215550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.215550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.215550 (E_RNA) where: Base-Base interactions energy: -127.388 where: short stacking energy: -56.549 Base-Backbone interact. energy: 0.399 local terms energy: -73.226286 where: bonds (distance) C4'-P energy: -14.677 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -9.315 tors. eta vs tors. theta energy: -17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 197 Temperature: 0.950000 Total energy: -190.770161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.770161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.770161 (E_RNA) where: Base-Base interactions energy: -125.532 where: short stacking energy: -55.150 Base-Backbone interact. energy: -0.789 local terms energy: -64.448514 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -13.269 flat angles C4'-P-C4' energy: -11.420 flat angles P-C4'-P energy: -11.318 tors. eta vs tors. theta energy: -15.450 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: 4 ===================================== Write number: 197 Temperature: 1.000000 Total energy: -203.985100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.985100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.985100 (E_RNA) where: Base-Base interactions energy: -136.114 where: short stacking energy: -65.084 Base-Backbone interact. energy: -0.004 local terms energy: -67.867143 where: bonds (distance) C4'-P energy: -14.968 bonds (distance) P-C4' energy: -10.788 flat angles C4'-P-C4' energy: -11.711 flat angles P-C4'-P energy: -12.166 tors. eta vs tors. theta energy: -18.235 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 197 Temperature: 1.050000 Total energy: -185.931179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.931179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.931179 (E_RNA) where: Base-Base interactions energy: -120.759 where: short stacking energy: -53.460 Base-Backbone interact. energy: -0.087 local terms energy: -65.084865 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -15.082 flat angles C4'-P-C4' energy: -14.021 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -12.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 197 Temperature: 1.100000 Total energy: -163.410497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.410497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.410497 (E_RNA) where: Base-Base interactions energy: -106.360 where: short stacking energy: -45.043 Base-Backbone interact. energy: -0.603 local terms energy: -56.447709 where: bonds (distance) C4'-P energy: -13.188 bonds (distance) P-C4' energy: -10.941 flat angles C4'-P-C4' energy: -11.668 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -13.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 197 Temperature: 1.150000 Total energy: -184.220216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.220216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.220216 (E_RNA) where: Base-Base interactions energy: -119.151 where: short stacking energy: -58.173 Base-Backbone interact. energy: -0.105 local terms energy: -64.963777 where: bonds (distance) C4'-P energy: -14.441 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -14.451 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -15.280 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: 7 ===================================== Write number: 197 Temperature: 1.200000 Total energy: -83.945466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.945466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.945466 (E_RNA) where: Base-Base interactions energy: -34.330 where: short stacking energy: -33.976 Base-Backbone interact. energy: -0.231 local terms energy: -49.384362 where: bonds (distance) C4'-P energy: -6.371 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -12.085 flat angles P-C4'-P energy: -11.826 tors. eta vs tors. theta energy: -4.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 197 Temperature: 1.250000 Total energy: -87.214511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.214511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.214511 (E_RNA) where: Base-Base interactions energy: -35.122 where: short stacking energy: -28.342 Base-Backbone interact. energy: -0.124 local terms energy: -51.968563 where: bonds (distance) C4'-P energy: -12.031 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -7.147 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -8.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 197 Temperature: 1.300000 Total energy: -73.180953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.180953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.180953 (E_RNA) where: Base-Base interactions energy: -24.856 where: short stacking energy: -24.856 Base-Backbone interact. energy: -0.003 local terms energy: -48.321795 where: bonds (distance) C4'-P energy: -11.387 bonds (distance) P-C4' energy: -11.725 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -7.807 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: 10, replica: 8 ===================================== Write number: 197 Temperature: 1.350000 Total energy: -69.977727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.977727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.977727 (E_RNA) where: Base-Base interactions energy: -28.746 where: short stacking energy: -26.622 Base-Backbone interact. energy: -0.149 local terms energy: -41.082381 where: bonds (distance) C4'-P energy: -9.890 bonds (distance) P-C4' energy: -6.474 flat angles C4'-P-C4' energy: -10.148 flat angles P-C4'-P energy: -9.177 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: 1, replica: 6 ===================================== Write number: 198 Temperature: 0.900000 Total energy: -200.780688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.780688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.780688 (E_RNA) where: Base-Base interactions energy: -129.393 where: short stacking energy: -68.441 Base-Backbone interact. energy: -0.402 local terms energy: -70.985184 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -10.285 flat angles C4'-P-C4' energy: -15.166 flat angles P-C4'-P energy: -10.800 tors. eta vs tors. theta energy: -19.981 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 198 Temperature: 0.950000 Total energy: -199.146173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.146173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.146173 (E_RNA) where: Base-Base interactions energy: -125.193 where: short stacking energy: -64.089 Base-Backbone interact. energy: -0.045 local terms energy: -73.908038 where: bonds (distance) C4'-P energy: -14.445 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -9.483 tors. eta vs tors. theta energy: -18.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 198 Temperature: 1.000000 Total energy: -187.229675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.229675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.229675 (E_RNA) where: Base-Base interactions energy: -121.396 where: short stacking energy: -56.415 Base-Backbone interact. energy: 0.948 local terms energy: -66.782013 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -14.455 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -10.658 tors. eta vs tors. theta energy: -17.273 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 198 Temperature: 1.050000 Total energy: -198.268724 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.268724 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.268724 (E_RNA) where: Base-Base interactions energy: -132.000 where: short stacking energy: -60.227 Base-Backbone interact. energy: -0.009 local terms energy: -66.259495 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -16.619 flat angles P-C4'-P energy: -6.610 tors. eta vs tors. theta energy: -16.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 198 Temperature: 1.100000 Total energy: -195.356995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.356995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.356995 (E_RNA) where: Base-Base interactions energy: -127.220 where: short stacking energy: -47.535 Base-Backbone interact. energy: -0.064 local terms energy: -68.073294 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -8.225 tors. eta vs tors. theta energy: -16.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 198 Temperature: 1.150000 Total energy: -178.029172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.029172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.029172 (E_RNA) where: Base-Base interactions energy: -121.078 where: short stacking energy: -60.280 Base-Backbone interact. energy: -0.255 local terms energy: -56.697000 where: bonds (distance) C4'-P energy: -9.498 bonds (distance) P-C4' energy: -4.478 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -9.001 tors. eta vs tors. theta energy: -20.182 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: 5 ===================================== Write number: 198 Temperature: 1.200000 Total energy: -82.389381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.389381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.389381 (E_RNA) where: Base-Base interactions energy: -31.535 where: short stacking energy: -30.291 Base-Backbone interact. energy: -0.205 local terms energy: -50.648908 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -12.641 flat angles C4'-P-C4' energy: -12.909 flat angles P-C4'-P energy: -6.006 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: 8, replica: 7 ===================================== Write number: 198 Temperature: 1.250000 Total energy: -81.117450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.117450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.117450 (E_RNA) where: Base-Base interactions energy: -31.592 where: short stacking energy: -31.222 Base-Backbone interact. energy: -0.130 local terms energy: -49.396323 where: bonds (distance) C4'-P energy: -14.904 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -10.380 flat angles P-C4'-P energy: -8.687 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: 9, replica: 2 ===================================== Write number: 198 Temperature: 1.300000 Total energy: -71.795491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.795491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.795491 (E_RNA) where: Base-Base interactions energy: -25.869 where: short stacking energy: -25.869 Base-Backbone interact. energy: -0.102 local terms energy: -45.824514 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -11.581 flat angles C4'-P-C4' energy: -13.652 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: 0.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 198 Temperature: 1.350000 Total energy: -75.642343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.642343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.642343 (E_RNA) where: Base-Base interactions energy: -35.132 where: short stacking energy: -34.230 Base-Backbone interact. energy: 0.946 local terms energy: -41.456226 where: bonds (distance) C4'-P energy: -7.973 bonds (distance) P-C4' energy: -8.780 flat angles C4'-P-C4' energy: -12.666 flat angles P-C4'-P energy: -5.665 tors. eta vs tors. theta energy: -6.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 199 Temperature: 0.900000 Total energy: -198.682084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.682084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.682084 (E_RNA) where: Base-Base interactions energy: -127.536 where: short stacking energy: -56.278 Base-Backbone interact. energy: -0.361 local terms energy: -70.785368 where: bonds (distance) C4'-P energy: -13.599 bonds (distance) P-C4' energy: -13.200 flat angles C4'-P-C4' energy: -13.127 flat angles P-C4'-P energy: -13.082 tors. eta vs tors. theta energy: -17.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 199 Temperature: 0.950000 Total energy: -193.392729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.392729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.392729 (E_RNA) where: Base-Base interactions energy: -132.272 where: short stacking energy: -60.857 Base-Backbone interact. energy: 0.153 local terms energy: -61.273390 where: bonds (distance) C4'-P energy: -8.277 bonds (distance) P-C4' energy: -10.746 flat angles C4'-P-C4' energy: -14.427 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: -17.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 199 Temperature: 1.000000 Total energy: -192.490870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.490870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.490870 (E_RNA) where: Base-Base interactions energy: -123.321 where: short stacking energy: -64.022 Base-Backbone interact. energy: -0.002 local terms energy: -69.168002 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -13.510 flat angles C4'-P-C4' energy: -14.104 flat angles P-C4'-P energy: -7.905 tors. eta vs tors. theta energy: -19.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 199 Temperature: 1.050000 Total energy: -200.542685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.542685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.542685 (E_RNA) where: Base-Base interactions energy: -133.446 where: short stacking energy: -65.749 Base-Backbone interact. energy: -0.001 local terms energy: -67.095645 where: bonds (distance) C4'-P energy: -7.999 bonds (distance) P-C4' energy: -14.676 flat angles C4'-P-C4' energy: -15.171 flat angles P-C4'-P energy: -10.097 tors. eta vs tors. theta energy: -19.153 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 199 Temperature: 1.100000 Total energy: -188.263440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.263440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.263440 (E_RNA) where: Base-Base interactions energy: -121.370 where: short stacking energy: -55.346 Base-Backbone interact. energy: -0.019 local terms energy: -66.874894 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -12.529 flat angles C4'-P-C4' energy: -15.851 flat angles P-C4'-P energy: -8.668 tors. eta vs tors. theta energy: -16.484 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: 1 ===================================== Write number: 199 Temperature: 1.150000 Total energy: -178.260115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.260115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.260115 (E_RNA) where: Base-Base interactions energy: -113.766 where: short stacking energy: -52.730 Base-Backbone interact. energy: -0.089 local terms energy: -64.405370 where: bonds (distance) C4'-P energy: -13.519 bonds (distance) P-C4' energy: -9.989 flat angles C4'-P-C4' energy: -14.969 flat angles P-C4'-P energy: -9.883 tors. eta vs tors. theta energy: -16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 199 Temperature: 1.200000 Total energy: -81.377168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.377168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.377168 (E_RNA) where: Base-Base interactions energy: -27.929 where: short stacking energy: -27.929 Base-Backbone interact. energy: -0.364 local terms energy: -53.083852 where: bonds (distance) C4'-P energy: -10.263 bonds (distance) P-C4' energy: -15.085 flat angles C4'-P-C4' energy: -10.844 flat angles P-C4'-P energy: -8.915 tors. eta vs tors. theta energy: -7.976 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: 7 ===================================== Write number: 199 Temperature: 1.250000 Total energy: -86.636775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.636775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.636775 (E_RNA) where: Base-Base interactions energy: -46.099 where: short stacking energy: -27.748 Base-Backbone interact. energy: -0.073 local terms energy: -40.463924 where: bonds (distance) C4'-P energy: -10.979 bonds (distance) P-C4' energy: -13.313 flat angles C4'-P-C4' energy: -8.827 flat angles P-C4'-P energy: -9.500 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: 9, replica: 2 ===================================== Write number: 199 Temperature: 1.300000 Total energy: -70.975977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.975977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.975977 (E_RNA) where: Base-Base interactions energy: -24.860 where: short stacking energy: -22.034 Base-Backbone interact. energy: 3.253 local terms energy: -49.368907 where: bonds (distance) C4'-P energy: -15.431 bonds (distance) P-C4' energy: -13.937 flat angles C4'-P-C4' energy: -8.795 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -3.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 199 Temperature: 1.350000 Total energy: -71.666410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.666410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.666410 (E_RNA) where: Base-Base interactions energy: -26.511 where: short stacking energy: -20.187 Base-Backbone interact. energy: -0.091 local terms energy: -45.063927 where: bonds (distance) C4'-P energy: -9.080 bonds (distance) P-C4' energy: -11.652 flat angles C4'-P-C4' energy: -14.285 flat angles P-C4'-P energy: -5.866 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: 1, replica: 3 ===================================== Write number: 200 Temperature: 0.900000 Total energy: -191.064364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.064364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.064364 (E_RNA) where: Base-Base interactions energy: -129.648 where: short stacking energy: -56.650 Base-Backbone interact. energy: -0.129 local terms energy: -61.287119 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -15.034 flat angles C4'-P-C4' energy: -12.596 flat angles P-C4'-P energy: -8.558 tors. eta vs tors. theta energy: -13.292 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 200 Temperature: 0.950000 Total energy: -189.408312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.408312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.408312 (E_RNA) where: Base-Base interactions energy: -119.520 where: short stacking energy: -59.518 Base-Backbone interact. energy: -0.004 local terms energy: -69.883934 where: bonds (distance) C4'-P energy: -13.812 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -11.610 tors. eta vs tors. theta energy: -16.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 200 Temperature: 1.000000 Total energy: -199.583512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.583512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.583512 (E_RNA) where: Base-Base interactions energy: -132.026 where: short stacking energy: -67.176 Base-Backbone interact. energy: 0.574 local terms energy: -68.131195 where: bonds (distance) C4'-P energy: -11.695 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -13.773 flat angles P-C4'-P energy: -12.568 tors. eta vs tors. theta energy: -16.172 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: 10 ===================================== Write number: 200 Temperature: 1.050000 Total energy: -186.358506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.358506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.358506 (E_RNA) where: Base-Base interactions energy: -115.404 where: short stacking energy: -55.869 Base-Backbone interact. energy: -0.005 local terms energy: -70.950277 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -10.464 tors. eta vs tors. theta energy: -18.823 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 200 Temperature: 1.100000 Total energy: -179.849996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.849996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.849996 (E_RNA) where: Base-Base interactions energy: -119.182 where: short stacking energy: -56.172 Base-Backbone interact. energy: -0.007 local terms energy: -60.660848 where: bonds (distance) C4'-P energy: -10.810 bonds (distance) P-C4' energy: -15.882 flat angles C4'-P-C4' energy: -11.640 flat angles P-C4'-P energy: -6.409 tors. eta vs tors. theta energy: -15.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 200 Temperature: 1.150000 Total energy: -192.831648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.831648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.831648 (E_RNA) where: Base-Base interactions energy: -123.526 where: short stacking energy: -58.479 Base-Backbone interact. energy: -0.002 local terms energy: -69.303070 where: bonds (distance) C4'-P energy: -13.133 bonds (distance) P-C4' energy: -10.874 flat angles C4'-P-C4' energy: -15.478 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -19.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 200 Temperature: 1.200000 Total energy: -96.151616 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.151616 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.151616 (E_RNA) where: Base-Base interactions energy: -44.798 where: short stacking energy: -40.850 Base-Backbone interact. energy: -0.056 local terms energy: -51.297447 where: bonds (distance) C4'-P energy: -13.917 bonds (distance) P-C4' energy: -11.126 flat angles C4'-P-C4' energy: -14.948 flat angles P-C4'-P energy: -5.195 tors. eta vs tors. theta energy: -6.112 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 200 Temperature: 1.250000 Total energy: -88.603643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.603643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.603643 (E_RNA) where: Base-Base interactions energy: -35.718 where: short stacking energy: -35.718 Base-Backbone interact. energy: -0.169 local terms energy: -52.715957 where: bonds (distance) C4'-P energy: -7.812 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -14.111 flat angles P-C4'-P energy: -9.698 tors. eta vs tors. theta energy: -8.795 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: 8 ===================================== Write number: 200 Temperature: 1.300000 Total energy: -81.337749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.337749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.337749 (E_RNA) where: Base-Base interactions energy: -35.263 where: short stacking energy: -28.188 Base-Backbone interact. energy: -0.239 local terms energy: -45.835599 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -14.194 flat angles C4'-P-C4' energy: -8.707 flat angles P-C4'-P energy: -0.643 tors. eta vs tors. theta energy: -9.859 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: 200 Temperature: 1.350000 Total energy: -74.839194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.839194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.839194 (E_RNA) where: Base-Base interactions energy: -22.670 where: short stacking energy: -22.670 Base-Backbone interact. energy: -0.003 local terms energy: -52.166747 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -11.566 flat angles C4'-P-C4' energy: -13.038 flat angles P-C4'-P energy: -9.207 tors. eta vs tors. theta energy: -4.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 201 Temperature: 0.900000 Total energy: -198.060503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.060503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.060503 (E_RNA) where: Base-Base interactions energy: -128.663 where: short stacking energy: -68.407 Base-Backbone interact. energy: -0.001 local terms energy: -69.396583 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -12.073 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -19.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 201 Temperature: 0.950000 Total energy: -206.027157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.027157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.027157 (E_RNA) where: Base-Base interactions energy: -135.352 where: short stacking energy: -63.757 Base-Backbone interact. energy: -0.008 local terms energy: -70.667726 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -16.156 flat angles P-C4'-P energy: -9.546 tors. eta vs tors. theta energy: -17.807 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: 6 ===================================== Write number: 201 Temperature: 1.000000 Total energy: -181.988970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.988970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.988970 (E_RNA) where: Base-Base interactions energy: -118.044 where: short stacking energy: -60.244 Base-Backbone interact. energy: -0.472 local terms energy: -63.472928 where: bonds (distance) C4'-P energy: -14.485 bonds (distance) P-C4' energy: -15.181 flat angles C4'-P-C4' energy: -9.330 flat angles P-C4'-P energy: -8.092 tors. eta vs tors. theta energy: -16.385 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: 10 ===================================== Write number: 201 Temperature: 1.050000 Total energy: -183.790552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.790552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.790552 (E_RNA) where: Base-Base interactions energy: -119.679 where: short stacking energy: -60.872 Base-Backbone interact. energy: -0.097 local terms energy: -64.014090 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -12.132 flat angles C4'-P-C4' energy: -14.560 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -18.393 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: 201 Temperature: 1.100000 Total energy: -166.549410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.549410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.549410 (E_RNA) where: Base-Base interactions energy: -108.589 where: short stacking energy: -49.600 Base-Backbone interact. energy: -0.265 local terms energy: -57.695621 where: bonds (distance) C4'-P energy: -7.656 bonds (distance) P-C4' energy: -9.260 flat angles C4'-P-C4' energy: -12.949 flat angles P-C4'-P energy: -11.301 tors. eta vs tors. theta energy: -16.530 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 201 Temperature: 1.150000 Total energy: -190.854941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.854941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.854941 (E_RNA) where: Base-Base interactions energy: -128.476 where: short stacking energy: -55.870 Base-Backbone interact. energy: -0.001 local terms energy: -62.378416 where: bonds (distance) C4'-P energy: -15.901 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -10.567 flat angles P-C4'-P energy: -6.876 tors. eta vs tors. theta energy: -16.999 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: 7, replica: 7 ===================================== Write number: 201 Temperature: 1.200000 Total energy: -85.129114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.129114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.129114 (E_RNA) where: Base-Base interactions energy: -42.651 where: short stacking energy: -30.680 Base-Backbone interact. energy: -0.030 local terms energy: -42.447909 where: bonds (distance) C4'-P energy: -11.078 bonds (distance) P-C4' energy: -11.592 flat angles C4'-P-C4' energy: -11.052 flat angles P-C4'-P energy: -6.129 tors. eta vs tors. theta energy: -2.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 201 Temperature: 1.250000 Total energy: -74.063910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.063910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.063910 (E_RNA) where: Base-Base interactions energy: -33.623 where: short stacking energy: -22.111 Base-Backbone interact. energy: -0.069 local terms energy: -40.371345 where: bonds (distance) C4'-P energy: -12.717 bonds (distance) P-C4' energy: -12.823 flat angles C4'-P-C4' energy: -12.609 flat angles P-C4'-P energy: -4.211 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: 8 ===================================== Write number: 201 Temperature: 1.300000 Total energy: -81.684217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.684217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.684217 (E_RNA) where: Base-Base interactions energy: -42.382 where: short stacking energy: -32.810 Base-Backbone interact. energy: -0.155 local terms energy: -39.146879 where: bonds (distance) C4'-P energy: -4.521 bonds (distance) P-C4' energy: -10.844 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -11.922 tors. eta vs tors. theta energy: -3.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 201 Temperature: 1.350000 Total energy: -78.200557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.200557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.200557 (E_RNA) where: Base-Base interactions energy: -31.938 where: short stacking energy: -30.992 Base-Backbone interact. energy: -0.203 local terms energy: -46.059069 where: bonds (distance) C4'-P energy: -9.592 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -12.576 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -1.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 202 Temperature: 0.900000 Total energy: -209.069928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.069928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.069928 (E_RNA) where: Base-Base interactions energy: -137.936 where: short stacking energy: -69.011 Base-Backbone interact. energy: -0.078 local terms energy: -71.055628 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -16.081 flat angles P-C4'-P energy: -8.038 tors. eta vs tors. theta energy: -19.418 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: 3 ===================================== Write number: 202 Temperature: 0.950000 Total energy: -194.663900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.663900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.663900 (E_RNA) where: Base-Base interactions energy: -124.233 where: short stacking energy: -56.234 Base-Backbone interact. energy: -0.052 local terms energy: -70.378620 where: bonds (distance) C4'-P energy: -13.387 bonds (distance) P-C4' energy: -14.256 flat angles C4'-P-C4' energy: -15.587 flat angles P-C4'-P energy: -9.441 tors. eta vs tors. theta energy: -17.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 202 Temperature: 1.000000 Total energy: -174.648282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.648282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.648282 (E_RNA) where: Base-Base interactions energy: -106.908 where: short stacking energy: -47.808 Base-Backbone interact. energy: -0.127 local terms energy: -67.613433 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -14.176 flat angles C4'-P-C4' energy: -14.548 flat angles P-C4'-P energy: -11.159 tors. eta vs tors. theta energy: -11.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 202 Temperature: 1.050000 Total energy: -176.808506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.808506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.808506 (E_RNA) where: Base-Base interactions energy: -115.195 where: short stacking energy: -46.784 Base-Backbone interact. energy: -0.735 local terms energy: -60.878681 where: bonds (distance) C4'-P energy: -8.789 bonds (distance) P-C4' energy: -11.281 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -11.734 tors. eta vs tors. theta energy: -16.027 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: 4 ===================================== Write number: 202 Temperature: 1.100000 Total energy: -190.392512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.392512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.392512 (E_RNA) where: Base-Base interactions energy: -129.581 where: short stacking energy: -52.082 Base-Backbone interact. energy: 1.057 local terms energy: -61.867843 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -10.534 flat angles P-C4'-P energy: -9.732 tors. eta vs tors. theta energy: -15.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 202 Temperature: 1.150000 Total energy: -169.442930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.442930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.442930 (E_RNA) where: Base-Base interactions energy: -114.415 where: short stacking energy: -43.105 Base-Backbone interact. energy: -1.418 local terms energy: -53.609854 where: bonds (distance) C4'-P energy: -12.482 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -9.651 flat angles P-C4'-P energy: -10.332 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: 7, replica: 7 ===================================== Write number: 202 Temperature: 1.200000 Total energy: -85.700779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.700779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.700779 (E_RNA) where: Base-Base interactions energy: -33.065 where: short stacking energy: -29.040 Base-Backbone interact. energy: -0.183 local terms energy: -52.453073 where: bonds (distance) C4'-P energy: -13.340 bonds (distance) P-C4' energy: -15.310 flat angles C4'-P-C4' energy: -12.922 flat angles P-C4'-P energy: -9.017 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: 8, replica: 5 ===================================== Write number: 202 Temperature: 1.250000 Total energy: -85.415429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.415429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.415429 (E_RNA) where: Base-Base interactions energy: -37.918 where: short stacking energy: -37.918 Base-Backbone interact. energy: -0.036 local terms energy: -47.461662 where: bonds (distance) C4'-P energy: -12.935 bonds (distance) P-C4' energy: -13.910 flat angles C4'-P-C4' energy: -9.355 flat angles P-C4'-P energy: -3.180 tors. eta vs tors. theta energy: -8.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 202 Temperature: 1.300000 Total energy: -70.088874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.088874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.088874 (E_RNA) where: Base-Base interactions energy: -32.287 where: short stacking energy: -13.998 Base-Backbone interact. energy: -1.204 local terms energy: -36.597316 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -14.150 flat angles C4'-P-C4' energy: -10.187 flat angles P-C4'-P energy: -6.074 tors. eta vs tors. theta energy: 4.202 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 202 Temperature: 1.350000 Total energy: -66.374354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.374354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.374354 (E_RNA) where: Base-Base interactions energy: -26.952 where: short stacking energy: -26.463 Base-Backbone interact. energy: -0.034 local terms energy: -39.387794 where: bonds (distance) C4'-P energy: -6.625 bonds (distance) P-C4' energy: -12.278 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -4.447 tors. eta vs tors. theta energy: -3.806 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 203 Temperature: 0.900000 Total energy: -204.183012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.183012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.183012 (E_RNA) where: Base-Base interactions energy: -140.962 where: short stacking energy: -64.547 Base-Backbone interact. energy: -0.507 local terms energy: -62.713659 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -11.412 flat angles C4'-P-C4' energy: -15.099 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -15.582 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 203 Temperature: 0.950000 Total energy: -195.904174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.904174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.904174 (E_RNA) where: Base-Base interactions energy: -131.467 where: short stacking energy: -64.337 Base-Backbone interact. energy: -0.129 local terms energy: -64.308537 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -8.282 flat angles P-C4'-P energy: -11.124 tors. eta vs tors. theta energy: -18.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 203 Temperature: 1.000000 Total energy: -171.584170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.584170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.584170 (E_RNA) where: Base-Base interactions energy: -109.949 where: short stacking energy: -50.620 Base-Backbone interact. energy: -0.022 local terms energy: -61.613329 where: bonds (distance) C4'-P energy: -15.015 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -13.750 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -12.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 203 Temperature: 1.050000 Total energy: -202.077036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.077036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.077036 (E_RNA) where: Base-Base interactions energy: -126.413 where: short stacking energy: -59.130 Base-Backbone interact. energy: -0.894 local terms energy: -74.770721 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -12.749 flat angles C4'-P-C4' energy: -16.664 flat angles P-C4'-P energy: -11.886 tors. eta vs tors. theta energy: -18.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 203 Temperature: 1.100000 Total energy: -167.060119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.060119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.060119 (E_RNA) where: Base-Base interactions energy: -107.311 where: short stacking energy: -49.619 Base-Backbone interact. energy: -0.778 local terms energy: -58.971492 where: bonds (distance) C4'-P energy: -14.247 bonds (distance) P-C4' energy: -11.056 flat angles C4'-P-C4' energy: -11.673 flat angles P-C4'-P energy: -9.638 tors. eta vs tors. theta energy: -12.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 203 Temperature: 1.150000 Total energy: -172.856231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.856231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.856231 (E_RNA) where: Base-Base interactions energy: -114.183 where: short stacking energy: -51.269 Base-Backbone interact. energy: -0.099 local terms energy: -58.573505 where: bonds (distance) C4'-P energy: -12.268 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -13.407 flat angles P-C4'-P energy: -10.371 tors. eta vs tors. theta energy: -11.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 203 Temperature: 1.200000 Total energy: -93.033563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.033563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.033563 (E_RNA) where: Base-Base interactions energy: -52.663 where: short stacking energy: -41.204 Base-Backbone interact. energy: -0.002 local terms energy: -40.368800 where: bonds (distance) C4'-P energy: -9.154 bonds (distance) P-C4' energy: -12.206 flat angles C4'-P-C4' energy: -11.230 flat angles P-C4'-P energy: -1.821 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: 8, replica: 8 ===================================== Write number: 203 Temperature: 1.250000 Total energy: -101.717581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.717581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.717581 (E_RNA) where: Base-Base interactions energy: -52.018 where: short stacking energy: -31.737 Base-Backbone interact. energy: -0.075 local terms energy: -49.624668 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -9.417 flat angles C4'-P-C4' energy: -12.532 flat angles P-C4'-P energy: -6.823 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: 203 Temperature: 1.300000 Total energy: -90.402585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.402585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.402585 (E_RNA) where: Base-Base interactions energy: -50.220 where: short stacking energy: -25.719 Base-Backbone interact. energy: -0.332 local terms energy: -39.850460 where: bonds (distance) C4'-P energy: -11.754 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -10.887 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: 3.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 203 Temperature: 1.350000 Total energy: -70.347650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.347650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.347650 (E_RNA) where: Base-Base interactions energy: -34.111 where: short stacking energy: -26.899 Base-Backbone interact. energy: 1.819 local terms energy: -38.055533 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -9.996 flat angles C4'-P-C4' energy: -2.979 flat angles P-C4'-P energy: -8.075 tors. eta vs tors. theta energy: -3.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 204 Temperature: 0.900000 Total energy: -209.527757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.527757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.527757 (E_RNA) where: Base-Base interactions energy: -138.551 where: short stacking energy: -65.747 Base-Backbone interact. energy: -0.001 local terms energy: -70.975344 where: bonds (distance) C4'-P energy: -13.301 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -11.899 flat angles P-C4'-P energy: -11.795 tors. eta vs tors. theta energy: -18.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 204 Temperature: 0.950000 Total energy: -195.213902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.213902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.213902 (E_RNA) where: Base-Base interactions energy: -125.783 where: short stacking energy: -56.268 Base-Backbone interact. energy: -0.167 local terms energy: -69.264607 where: bonds (distance) C4'-P energy: -12.970 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -13.517 flat angles P-C4'-P energy: -12.231 tors. eta vs tors. theta energy: -15.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 204 Temperature: 1.000000 Total energy: -193.893903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.893903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.893903 (E_RNA) where: Base-Base interactions energy: -126.709 where: short stacking energy: -62.738 Base-Backbone interact. energy: -0.008 local terms energy: -67.177080 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -13.561 flat angles P-C4'-P energy: -8.299 tors. eta vs tors. theta energy: -19.723 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: 4, replica: 10 ===================================== Write number: 204 Temperature: 1.050000 Total energy: -185.257060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.257060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.257060 (E_RNA) where: Base-Base interactions energy: -127.174 where: short stacking energy: -59.928 Base-Backbone interact. energy: -0.002 local terms energy: -58.080695 where: bonds (distance) C4'-P energy: -11.319 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -10.135 flat angles P-C4'-P energy: -6.305 tors. eta vs tors. theta energy: -15.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 204 Temperature: 1.100000 Total energy: -184.351702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.351702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.351702 (E_RNA) where: Base-Base interactions energy: -117.548 where: short stacking energy: -50.757 Base-Backbone interact. energy: -0.615 local terms energy: -66.188222 where: bonds (distance) C4'-P energy: -11.017 bonds (distance) P-C4' energy: -13.914 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -13.027 tors. eta vs tors. theta energy: -13.963 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: 1 ===================================== Write number: 204 Temperature: 1.150000 Total energy: -155.306047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.306047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.306047 (E_RNA) where: Base-Base interactions energy: -103.568 where: short stacking energy: -44.893 Base-Backbone interact. energy: -0.052 local terms energy: -51.686215 where: bonds (distance) C4'-P energy: -14.391 bonds (distance) P-C4' energy: -12.343 flat angles C4'-P-C4' energy: -7.750 flat angles P-C4'-P energy: -6.111 tors. eta vs tors. theta energy: -11.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 204 Temperature: 1.200000 Total energy: -90.941522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.941522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.941522 (E_RNA) where: Base-Base interactions energy: -47.224 where: short stacking energy: -34.806 Base-Backbone interact. energy: -0.812 local terms energy: -42.906263 where: bonds (distance) C4'-P energy: -7.063 bonds (distance) P-C4' energy: -11.750 flat angles C4'-P-C4' energy: -11.785 flat angles P-C4'-P energy: -3.658 tors. eta vs tors. theta energy: -8.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 204 Temperature: 1.250000 Total energy: -97.333252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.333252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.333252 (E_RNA) where: Base-Base interactions energy: -47.681 where: short stacking energy: -42.801 Base-Backbone interact. energy: -0.211 local terms energy: -49.440378 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -9.679 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -7.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 204 Temperature: 1.300000 Total energy: -89.318220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.318220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.318220 (E_RNA) where: Base-Base interactions energy: -41.036 where: short stacking energy: -28.720 Base-Backbone interact. energy: -0.399 local terms energy: -47.882635 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -9.458 flat angles C4'-P-C4' energy: -10.773 flat angles P-C4'-P energy: -6.091 tors. eta vs tors. theta energy: -7.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 204 Temperature: 1.350000 Total energy: -76.963692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.963692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.963692 (E_RNA) where: Base-Base interactions energy: -25.348 where: short stacking energy: -25.943 Base-Backbone interact. energy: -0.033 local terms energy: -51.583319 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -14.906 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -4.501 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: 1, replica: 9 ===================================== Write number: 205 Temperature: 0.900000 Total energy: -214.134358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.134358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.134358 (E_RNA) where: Base-Base interactions energy: -135.092 where: short stacking energy: -58.283 Base-Backbone interact. energy: -0.094 local terms energy: -78.948987 where: bonds (distance) C4'-P energy: -15.190 bonds (distance) P-C4' energy: -17.109 flat angles C4'-P-C4' energy: -16.778 flat angles P-C4'-P energy: -10.052 tors. eta vs tors. theta energy: -19.820 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: 4 ===================================== Write number: 205 Temperature: 0.950000 Total energy: -213.177269 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.177269 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.177269 (E_RNA) where: Base-Base interactions energy: -144.692 where: short stacking energy: -64.552 Base-Backbone interact. energy: -0.005 local terms energy: -68.480665 where: bonds (distance) C4'-P energy: -11.959 bonds (distance) P-C4' energy: -13.644 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -9.467 tors. eta vs tors. theta energy: -19.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 205 Temperature: 1.000000 Total energy: -181.686478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.686478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.686478 (E_RNA) where: Base-Base interactions energy: -116.436 where: short stacking energy: -49.617 Base-Backbone interact. energy: -0.057 local terms energy: -65.193737 where: bonds (distance) C4'-P energy: -15.219 bonds (distance) P-C4' energy: -12.828 flat angles C4'-P-C4' energy: -10.809 flat angles P-C4'-P energy: -9.192 tors. eta vs tors. theta energy: -17.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 205 Temperature: 1.050000 Total energy: -187.779000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.779000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.779000 (E_RNA) where: Base-Base interactions energy: -119.907 where: short stacking energy: -60.089 Base-Backbone interact. energy: -0.001 local terms energy: -67.871149 where: bonds (distance) C4'-P energy: -10.412 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -14.946 flat angles P-C4'-P energy: -10.838 tors. eta vs tors. theta energy: -18.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 205 Temperature: 1.100000 Total energy: -179.881250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.881250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.881250 (E_RNA) where: Base-Base interactions energy: -110.857 where: short stacking energy: -55.383 Base-Backbone interact. energy: -2.491 local terms energy: -66.532345 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -13.553 flat angles P-C4'-P energy: -11.309 tors. eta vs tors. theta energy: -15.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 205 Temperature: 1.150000 Total energy: -166.805118 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.805118 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.805118 (E_RNA) where: Base-Base interactions energy: -108.258 where: short stacking energy: -50.248 Base-Backbone interact. energy: -1.973 local terms energy: -56.574390 where: bonds (distance) C4'-P energy: -6.081 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -10.017 tors. eta vs tors. theta energy: -11.146 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: 8 ===================================== Write number: 205 Temperature: 1.200000 Total energy: -105.994840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.994840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.994840 (E_RNA) where: Base-Base interactions energy: -60.825 where: short stacking energy: -30.385 Base-Backbone interact. energy: -0.352 local terms energy: -44.818023 where: bonds (distance) C4'-P energy: -5.303 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -1.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 205 Temperature: 1.250000 Total energy: -79.830211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.830211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.830211 (E_RNA) where: Base-Base interactions energy: -40.928 where: short stacking energy: -28.749 Base-Backbone interact. energy: -0.128 local terms energy: -38.774626 where: bonds (distance) C4'-P energy: -10.243 bonds (distance) P-C4' energy: -10.607 flat angles C4'-P-C4' energy: -9.952 flat angles P-C4'-P energy: -4.939 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: 9, replica: 7 ===================================== Write number: 205 Temperature: 1.300000 Total energy: -73.795564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.795564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.795564 (E_RNA) where: Base-Base interactions energy: -27.828 where: short stacking energy: -27.397 Base-Backbone interact. energy: -0.101 local terms energy: -45.866537 where: bonds (distance) C4'-P energy: -7.651 bonds (distance) P-C4' energy: -14.994 flat angles C4'-P-C4' energy: -14.869 flat angles P-C4'-P energy: -5.894 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: 10, replica: 5 ===================================== Write number: 205 Temperature: 1.350000 Total energy: -78.134135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.134135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.134135 (E_RNA) where: Base-Base interactions energy: -28.883 where: short stacking energy: -28.883 Base-Backbone interact. energy: 1.465 local terms energy: -50.716448 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -14.914 flat angles C4'-P-C4' energy: -11.468 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -5.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 206 Temperature: 0.900000 Total energy: -211.054025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.054025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.054025 (E_RNA) where: Base-Base interactions energy: -148.055 where: short stacking energy: -65.824 Base-Backbone interact. energy: -0.054 local terms energy: -62.944489 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -12.792 flat angles C4'-P-C4' energy: -10.940 flat angles P-C4'-P energy: -9.433 tors. eta vs tors. theta energy: -18.560 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: 2, replica: 9 ===================================== Write number: 206 Temperature: 0.950000 Total energy: -208.495996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.495996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.495996 (E_RNA) where: Base-Base interactions energy: -141.361 where: short stacking energy: -66.799 Base-Backbone interact. energy: -0.575 local terms energy: -66.559501 where: bonds (distance) C4'-P energy: -13.143 bonds (distance) P-C4' energy: -12.365 flat angles C4'-P-C4' energy: -15.401 flat angles P-C4'-P energy: -5.662 tors. eta vs tors. theta energy: -19.987 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: 6 ===================================== Write number: 206 Temperature: 1.000000 Total energy: -185.662487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.662487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.662487 (E_RNA) where: Base-Base interactions energy: -126.469 where: short stacking energy: -56.068 Base-Backbone interact. energy: -0.019 local terms energy: -59.174220 where: bonds (distance) C4'-P energy: -11.782 bonds (distance) P-C4' energy: -13.531 flat angles C4'-P-C4' energy: -12.428 flat angles P-C4'-P energy: -10.797 tors. eta vs tors. theta energy: -10.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 206 Temperature: 1.050000 Total energy: -182.238158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.238158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.238158 (E_RNA) where: Base-Base interactions energy: -116.080 where: short stacking energy: -52.773 Base-Backbone interact. energy: 1.654 local terms energy: -67.811924 where: bonds (distance) C4'-P energy: -14.392 bonds (distance) P-C4' energy: -12.696 flat angles C4'-P-C4' energy: -14.593 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: -16.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 206 Temperature: 1.100000 Total energy: -168.730082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.730082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.730082 (E_RNA) where: Base-Base interactions energy: -103.908 where: short stacking energy: -48.186 Base-Backbone interact. energy: -0.193 local terms energy: -64.629788 where: bonds (distance) C4'-P energy: -12.605 bonds (distance) P-C4' energy: -13.923 flat angles C4'-P-C4' energy: -15.378 flat angles P-C4'-P energy: -8.296 tors. eta vs tors. theta energy: -14.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 206 Temperature: 1.150000 Total energy: -128.885383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.885383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.885383 (E_RNA) where: Base-Base interactions energy: -69.674 where: short stacking energy: -35.565 Base-Backbone interact. energy: -0.020 local terms energy: -59.191489 where: bonds (distance) C4'-P energy: -15.579 bonds (distance) P-C4' energy: -13.467 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -7.042 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: 7, replica: 2 ===================================== Write number: 206 Temperature: 1.200000 Total energy: -89.435388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.435388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.435388 (E_RNA) where: Base-Base interactions energy: -35.757 where: short stacking energy: -35.757 Base-Backbone interact. energy: -0.038 local terms energy: -53.640996 where: bonds (distance) C4'-P energy: -12.189 bonds (distance) P-C4' energy: -13.337 flat angles C4'-P-C4' energy: -13.619 flat angles P-C4'-P energy: -4.562 tors. eta vs tors. theta energy: -9.934 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 206 Temperature: 1.250000 Total energy: -109.311727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.311727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.311727 (E_RNA) where: Base-Base interactions energy: -54.936 where: short stacking energy: -28.988 Base-Backbone interact. energy: -0.282 local terms energy: -54.093850 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -9.694 flat angles C4'-P-C4' energy: -14.937 flat angles P-C4'-P energy: -8.121 tors. eta vs tors. theta energy: -7.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 206 Temperature: 1.300000 Total energy: -79.257719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.257719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.257719 (E_RNA) where: Base-Base interactions energy: -30.699 where: short stacking energy: -30.401 Base-Backbone interact. energy: -0.083 local terms energy: -48.475570 where: bonds (distance) C4'-P energy: -14.147 bonds (distance) P-C4' energy: -13.437 flat angles C4'-P-C4' energy: -10.514 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -0.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 206 Temperature: 1.350000 Total energy: -80.164021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.164021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.164021 (E_RNA) where: Base-Base interactions energy: -37.899 where: short stacking energy: -29.820 Base-Backbone interact. energy: -0.271 local terms energy: -41.994282 where: bonds (distance) C4'-P energy: -10.002 bonds (distance) P-C4' energy: -10.960 flat angles C4'-P-C4' energy: -6.970 flat angles P-C4'-P energy: -8.775 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: 1, replica: 4 ===================================== Write number: 207 Temperature: 0.900000 Total energy: -212.894258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.894258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.894258 (E_RNA) where: Base-Base interactions energy: -138.372 where: short stacking energy: -66.166 Base-Backbone interact. energy: -0.037 local terms energy: -74.484660 where: bonds (distance) C4'-P energy: -14.858 bonds (distance) P-C4' energy: -13.470 flat angles C4'-P-C4' energy: -16.195 flat angles P-C4'-P energy: -11.369 tors. eta vs tors. theta energy: -18.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 207 Temperature: 0.950000 Total energy: -210.336466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.336466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.336466 (E_RNA) where: Base-Base interactions energy: -140.067 where: short stacking energy: -60.783 Base-Backbone interact. energy: -0.001 local terms energy: -70.268885 where: bonds (distance) C4'-P energy: -13.608 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -16.148 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -16.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 207 Temperature: 1.000000 Total energy: -190.245829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.245829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.245829 (E_RNA) where: Base-Base interactions energy: -131.419 where: short stacking energy: -59.325 Base-Backbone interact. energy: -0.098 local terms energy: -58.729351 where: bonds (distance) C4'-P energy: -11.472 bonds (distance) P-C4' energy: -10.872 flat angles C4'-P-C4' energy: -13.947 flat angles P-C4'-P energy: -8.286 tors. eta vs tors. theta energy: -14.153 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: 1 ===================================== Write number: 207 Temperature: 1.050000 Total energy: -172.171671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.171671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.171671 (E_RNA) where: Base-Base interactions energy: -109.923 where: short stacking energy: -50.398 Base-Backbone interact. energy: -0.047 local terms energy: -62.201700 where: bonds (distance) C4'-P energy: -9.075 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -10.702 tors. eta vs tors. theta energy: -13.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 207 Temperature: 1.100000 Total energy: -171.254680 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.254680 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.254680 (E_RNA) where: Base-Base interactions energy: -110.738 where: short stacking energy: -51.801 Base-Backbone interact. energy: -0.001 local terms energy: -60.515868 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -13.959 flat angles C4'-P-C4' energy: -12.255 flat angles P-C4'-P energy: -10.819 tors. eta vs tors. theta energy: -12.423 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 207 Temperature: 1.150000 Total energy: -134.420531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -134.420531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -134.420531 (E_RNA) where: Base-Base interactions energy: -78.980 where: short stacking energy: -39.177 Base-Backbone interact. energy: -0.067 local terms energy: -55.373361 where: bonds (distance) C4'-P energy: -10.773 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -16.431 flat angles P-C4'-P energy: -1.490 tors. eta vs tors. theta energy: -12.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 207 Temperature: 1.200000 Total energy: -88.511625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.511625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.511625 (E_RNA) where: Base-Base interactions energy: -42.263 where: short stacking energy: -23.677 Base-Backbone interact. energy: -0.268 local terms energy: -45.980343 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -13.543 flat angles C4'-P-C4' energy: -13.170 flat angles P-C4'-P energy: -8.004 tors. eta vs tors. theta energy: 0.971 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: 5 ===================================== Write number: 207 Temperature: 1.250000 Total energy: -103.192287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.192287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.192287 (E_RNA) where: Base-Base interactions energy: -51.335 where: short stacking energy: -26.411 Base-Backbone interact. energy: -0.182 local terms energy: -51.675442 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -14.822 flat angles C4'-P-C4' energy: -13.593 flat angles P-C4'-P energy: -8.361 tors. eta vs tors. theta energy: -2.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 207 Temperature: 1.300000 Total energy: -77.747347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.747347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.747347 (E_RNA) where: Base-Base interactions energy: -39.430 where: short stacking energy: -23.393 Base-Backbone interact. energy: -0.239 local terms energy: -38.077765 where: bonds (distance) C4'-P energy: -2.869 bonds (distance) P-C4' energy: -13.112 flat angles C4'-P-C4' energy: -13.539 flat angles P-C4'-P energy: -7.326 tors. eta vs tors. theta energy: -1.231 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: 207 Temperature: 1.350000 Total energy: -73.024109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.024109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.024109 (E_RNA) where: Base-Base interactions energy: -26.309 where: short stacking energy: -26.309 Base-Backbone interact. energy: 1.452 local terms energy: -48.167345 where: bonds (distance) C4'-P energy: -13.237 bonds (distance) P-C4' energy: -10.049 flat angles C4'-P-C4' energy: -11.251 flat angles P-C4'-P energy: -5.795 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: 1, replica: 4 ===================================== Write number: 208 Temperature: 0.900000 Total energy: -209.510555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.510555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.510555 (E_RNA) where: Base-Base interactions energy: -138.838 where: short stacking energy: -62.776 Base-Backbone interact. energy: -0.577 local terms energy: -70.094891 where: bonds (distance) C4'-P energy: -16.175 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -15.303 flat angles P-C4'-P energy: -8.957 tors. eta vs tors. theta energy: -16.675 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: 9 ===================================== Write number: 208 Temperature: 0.950000 Total energy: -200.948101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.948101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.948101 (E_RNA) where: Base-Base interactions energy: -134.227 where: short stacking energy: -61.912 Base-Backbone interact. energy: -0.012 local terms energy: -66.709306 where: bonds (distance) C4'-P energy: -12.073 bonds (distance) P-C4' energy: -14.738 flat angles C4'-P-C4' energy: -11.275 flat angles P-C4'-P energy: -11.921 tors. eta vs tors. theta energy: -16.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 208 Temperature: 1.000000 Total energy: -184.998553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.998553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.998553 (E_RNA) where: Base-Base interactions energy: -114.715 where: short stacking energy: -57.701 Base-Backbone interact. energy: -0.285 local terms energy: -69.997897 where: bonds (distance) C4'-P energy: -15.583 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -13.279 flat angles P-C4'-P energy: -12.019 tors. eta vs tors. theta energy: -14.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 208 Temperature: 1.050000 Total energy: -170.616983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.616983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.616983 (E_RNA) where: Base-Base interactions energy: -107.078 where: short stacking energy: -41.935 Base-Backbone interact. energy: -0.089 local terms energy: -63.449085 where: bonds (distance) C4'-P energy: -12.475 bonds (distance) P-C4' energy: -15.791 flat angles C4'-P-C4' energy: -13.532 flat angles P-C4'-P energy: -8.026 tors. eta vs tors. theta energy: -13.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 208 Temperature: 1.100000 Total energy: -171.490149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.490149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.490149 (E_RNA) where: Base-Base interactions energy: -110.553 where: short stacking energy: -45.902 Base-Backbone interact. energy: -0.001 local terms energy: -60.935451 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -8.858 tors. eta vs tors. theta energy: -15.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 208 Temperature: 1.150000 Total energy: -130.518642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -130.518642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -130.518642 (E_RNA) where: Base-Base interactions energy: -78.658 where: short stacking energy: -51.282 Base-Backbone interact. energy: 0.129 local terms energy: -51.989779 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -9.372 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -10.847 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 208 Temperature: 1.200000 Total energy: -100.961761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.961761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.961761 (E_RNA) where: Base-Base interactions energy: -61.693 where: short stacking energy: -27.383 Base-Backbone interact. energy: -0.305 local terms energy: -38.964066 where: bonds (distance) C4'-P energy: -13.430 bonds (distance) P-C4' energy: -13.022 flat angles C4'-P-C4' energy: -9.075 flat angles P-C4'-P energy: -2.010 tors. eta vs tors. theta energy: -1.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 208 Temperature: 1.250000 Total energy: -78.574576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.574576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.574576 (E_RNA) where: Base-Base interactions energy: -27.203 where: short stacking energy: -27.203 Base-Backbone interact. energy: -0.227 local terms energy: -51.145296 where: bonds (distance) C4'-P energy: -9.311 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -9.031 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: 9, replica: 7 ===================================== Write number: 208 Temperature: 1.300000 Total energy: -83.488094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.488094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.488094 (E_RNA) where: Base-Base interactions energy: -42.442 where: short stacking energy: -20.310 Base-Backbone interact. energy: 0.039 local terms energy: -41.085771 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -12.560 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -1.410 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: 10, replica: 8 ===================================== Write number: 208 Temperature: 1.350000 Total energy: -64.676782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.676782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.676782 (E_RNA) where: Base-Base interactions energy: -21.424 where: short stacking energy: -22.625 Base-Backbone interact. energy: -0.351 local terms energy: -42.901833 where: bonds (distance) C4'-P energy: -7.903 bonds (distance) P-C4' energy: -11.964 flat angles C4'-P-C4' energy: -10.623 flat angles P-C4'-P energy: -9.513 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 209 Temperature: 0.900000 Total energy: -211.574095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.574095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.574095 (E_RNA) where: Base-Base interactions energy: -144.936 where: short stacking energy: -67.759 Base-Backbone interact. energy: -0.005 local terms energy: -66.633619 where: bonds (distance) C4'-P energy: -12.074 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -15.744 flat angles P-C4'-P energy: -6.763 tors. eta vs tors. theta energy: -19.562 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: 2, replica: 1 ===================================== Write number: 209 Temperature: 0.950000 Total energy: -197.838668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.838668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.838668 (E_RNA) where: Base-Base interactions energy: -126.965 where: short stacking energy: -60.098 Base-Backbone interact. energy: -0.106 local terms energy: -70.768622 where: bonds (distance) C4'-P energy: -11.871 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -14.345 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -20.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 209 Temperature: 1.000000 Total energy: -195.944065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.944065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.944065 (E_RNA) where: Base-Base interactions energy: -135.508 where: short stacking energy: -59.589 Base-Backbone interact. energy: -0.097 local terms energy: -60.339535 where: bonds (distance) C4'-P energy: -10.996 bonds (distance) P-C4' energy: -11.532 flat angles C4'-P-C4' energy: -11.011 flat angles P-C4'-P energy: -11.225 tors. eta vs tors. theta energy: -15.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 209 Temperature: 1.050000 Total energy: -187.509192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.509192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.509192 (E_RNA) where: Base-Base interactions energy: -124.519 where: short stacking energy: -54.958 Base-Backbone interact. energy: -0.082 local terms energy: -62.907882 where: bonds (distance) C4'-P energy: -10.913 bonds (distance) P-C4' energy: -10.156 flat angles C4'-P-C4' energy: -13.855 flat angles P-C4'-P energy: -8.468 tors. eta vs tors. theta energy: -19.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 209 Temperature: 1.100000 Total energy: -163.173321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.173321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.173321 (E_RNA) where: Base-Base interactions energy: -97.794 where: short stacking energy: -41.678 Base-Backbone interact. energy: -0.005 local terms energy: -65.373714 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -11.380 flat angles C4'-P-C4' energy: -12.793 flat angles P-C4'-P energy: -9.953 tors. eta vs tors. theta energy: -16.750 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: 10 ===================================== Write number: 209 Temperature: 1.150000 Total energy: -113.463045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.463045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.463045 (E_RNA) where: Base-Base interactions energy: -61.463 where: short stacking energy: -35.071 Base-Backbone interact. energy: 1.038 local terms energy: -53.037855 where: bonds (distance) C4'-P energy: -14.239 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -9.946 flat angles P-C4'-P energy: -6.775 tors. eta vs tors. theta energy: -5.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 209 Temperature: 1.200000 Total energy: -88.281094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.281094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.281094 (E_RNA) where: Base-Base interactions energy: -34.359 where: short stacking energy: -30.897 Base-Backbone interact. energy: 1.000 local terms energy: -54.922005 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -16.140 flat angles C4'-P-C4' energy: -9.335 flat angles P-C4'-P energy: -5.284 tors. eta vs tors. theta energy: -8.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 209 Temperature: 1.250000 Total energy: -88.659383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.659383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.659383 (E_RNA) where: Base-Base interactions energy: -35.014 where: short stacking energy: -34.275 Base-Backbone interact. energy: -0.998 local terms energy: -52.647322 where: bonds (distance) C4'-P energy: -11.667 bonds (distance) P-C4' energy: -12.033 flat angles C4'-P-C4' energy: -15.797 flat angles P-C4'-P energy: -7.340 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: 9, replica: 2 ===================================== Write number: 209 Temperature: 1.300000 Total energy: -74.364930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.364930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.364930 (E_RNA) where: Base-Base interactions energy: -27.914 where: short stacking energy: -27.914 Base-Backbone interact. energy: -0.633 local terms energy: -45.818367 where: bonds (distance) C4'-P energy: -10.369 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -10.391 flat angles P-C4'-P energy: -8.976 tors. eta vs tors. theta energy: -2.558 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 209 Temperature: 1.350000 Total energy: -68.601760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.601760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.601760 (E_RNA) where: Base-Base interactions energy: -19.208 where: short stacking energy: -19.208 Base-Backbone interact. energy: 0.142 local terms energy: -49.535686 where: bonds (distance) C4'-P energy: -9.477 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -8.598 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: 1, replica: 4 ===================================== Write number: 210 Temperature: 0.900000 Total energy: -205.939713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.939713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.939713 (E_RNA) where: Base-Base interactions energy: -136.462 where: short stacking energy: -61.909 Base-Backbone interact. energy: -0.008 local terms energy: -69.469973 where: bonds (distance) C4'-P energy: -11.134 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -13.977 flat angles P-C4'-P energy: -12.597 tors. eta vs tors. theta energy: -16.505 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: 1 ===================================== Write number: 210 Temperature: 0.950000 Total energy: -179.212245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.212245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.212245 (E_RNA) where: Base-Base interactions energy: -106.891 where: short stacking energy: -55.858 Base-Backbone interact. energy: -1.196 local terms energy: -71.125218 where: bonds (distance) C4'-P energy: -13.915 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -16.799 flat angles P-C4'-P energy: -11.771 tors. eta vs tors. theta energy: -15.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 210 Temperature: 1.000000 Total energy: -186.020308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.020308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.020308 (E_RNA) where: Base-Base interactions energy: -125.282 where: short stacking energy: -59.510 Base-Backbone interact. energy: -0.066 local terms energy: -60.672396 where: bonds (distance) C4'-P energy: -3.996 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -13.229 flat angles P-C4'-P energy: -10.765 tors. eta vs tors. theta energy: -18.757 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: 210 Temperature: 1.050000 Total energy: -199.929000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.929000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.929000 (E_RNA) where: Base-Base interactions energy: -134.191 where: short stacking energy: -62.703 Base-Backbone interact. energy: -0.001 local terms energy: -65.737212 where: bonds (distance) C4'-P energy: -8.187 bonds (distance) P-C4' energy: -14.392 flat angles C4'-P-C4' energy: -15.746 flat angles P-C4'-P energy: -9.952 tors. eta vs tors. theta energy: -17.461 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 210 Temperature: 1.100000 Total energy: -172.200980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.200980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.200980 (E_RNA) where: Base-Base interactions energy: -107.776 where: short stacking energy: -49.444 Base-Backbone interact. energy: -0.228 local terms energy: -64.196565 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -13.483 flat angles P-C4'-P energy: -8.237 tors. eta vs tors. theta energy: -16.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 210 Temperature: 1.150000 Total energy: -93.066805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.066805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.066805 (E_RNA) where: Base-Base interactions energy: -39.856 where: short stacking energy: -36.645 Base-Backbone interact. energy: 0.618 local terms energy: -53.829086 where: bonds (distance) C4'-P energy: -15.149 bonds (distance) P-C4' energy: -9.868 flat angles C4'-P-C4' energy: -15.022 flat angles P-C4'-P energy: -7.566 tors. eta vs tors. theta energy: -6.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 210 Temperature: 1.200000 Total energy: -70.410073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.410073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.410073 (E_RNA) where: Base-Base interactions energy: -23.966 where: short stacking energy: -19.998 Base-Backbone interact. energy: -0.146 local terms energy: -46.297597 where: bonds (distance) C4'-P energy: -15.653 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -8.599 flat angles P-C4'-P energy: -6.620 tors. eta vs tors. theta energy: -0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 210 Temperature: 1.250000 Total energy: -80.494207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.494207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.494207 (E_RNA) where: Base-Base interactions energy: -27.291 where: short stacking energy: -27.150 Base-Backbone interact. energy: -0.429 local terms energy: -52.773871 where: bonds (distance) C4'-P energy: -13.972 bonds (distance) P-C4' energy: -11.063 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -8.710 tors. eta vs tors. theta energy: -4.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 210 Temperature: 1.300000 Total energy: -87.037099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.037099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.037099 (E_RNA) where: Base-Base interactions energy: -31.816 where: short stacking energy: -31.816 Base-Backbone interact. energy: -0.123 local terms energy: -55.098711 where: bonds (distance) C4'-P energy: -13.719 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -8.017 tors. eta vs tors. theta energy: -8.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 210 Temperature: 1.350000 Total energy: -69.592052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.592052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.592052 (E_RNA) where: Base-Base interactions energy: -24.566 where: short stacking energy: -24.260 Base-Backbone interact. energy: -0.015 local terms energy: -45.011213 where: bonds (distance) C4'-P energy: -6.000 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -10.559 flat angles P-C4'-P energy: -10.906 tors. eta vs tors. theta energy: -2.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 211 Temperature: 0.900000 Total energy: -206.785650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.785650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.785650 (E_RNA) where: Base-Base interactions energy: -129.930 where: short stacking energy: -61.767 Base-Backbone interact. energy: -0.723 local terms energy: -76.132385 where: bonds (distance) C4'-P energy: -16.059 bonds (distance) P-C4' energy: -15.597 flat angles C4'-P-C4' energy: -15.331 flat angles P-C4'-P energy: -10.309 tors. eta vs tors. theta energy: -18.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 211 Temperature: 0.950000 Total energy: -185.316918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.316918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.316918 (E_RNA) where: Base-Base interactions energy: -121.079 where: short stacking energy: -57.032 Base-Backbone interact. energy: -0.137 local terms energy: -64.100828 where: bonds (distance) C4'-P energy: -14.726 bonds (distance) P-C4' energy: -8.386 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -10.780 tors. eta vs tors. theta energy: -16.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 211 Temperature: 1.000000 Total energy: -185.043658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.043658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.043658 (E_RNA) where: Base-Base interactions energy: -121.874 where: short stacking energy: -42.411 Base-Backbone interact. energy: -0.094 local terms energy: -63.076042 where: bonds (distance) C4'-P energy: -12.738 bonds (distance) P-C4' energy: -15.074 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -7.490 tors. eta vs tors. theta energy: -13.830 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: 4, replica: 9 ===================================== Write number: 211 Temperature: 1.050000 Total energy: -192.818231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.818231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.818231 (E_RNA) where: Base-Base interactions energy: -128.867 where: short stacking energy: -56.986 Base-Backbone interact. energy: -0.013 local terms energy: -63.938053 where: bonds (distance) C4'-P energy: -10.373 bonds (distance) P-C4' energy: -15.336 flat angles C4'-P-C4' energy: -11.354 flat angles P-C4'-P energy: -9.376 tors. eta vs tors. theta energy: -17.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 211 Temperature: 1.100000 Total energy: -174.723243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.723243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.723243 (E_RNA) where: Base-Base interactions energy: -126.056 where: short stacking energy: -53.858 Base-Backbone interact. energy: -0.133 local terms energy: -48.533941 where: bonds (distance) C4'-P energy: -11.021 bonds (distance) P-C4' energy: -10.098 flat angles C4'-P-C4' energy: -8.487 flat angles P-C4'-P energy: -5.525 tors. eta vs tors. theta energy: -13.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 211 Temperature: 1.150000 Total energy: -84.147843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.147843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.147843 (E_RNA) where: Base-Base interactions energy: -36.416 where: short stacking energy: -36.393 Base-Backbone interact. energy: -0.186 local terms energy: -47.545614 where: bonds (distance) C4'-P energy: -11.000 bonds (distance) P-C4' energy: -12.108 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -3.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 211 Temperature: 1.200000 Total energy: -88.391860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.391860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.391860 (E_RNA) where: Base-Base interactions energy: -38.472 where: short stacking energy: -23.323 Base-Backbone interact. energy: 0.099 local terms energy: -50.019410 where: bonds (distance) C4'-P energy: -15.662 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -11.866 flat angles P-C4'-P energy: -8.184 tors. eta vs tors. theta energy: -1.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 211 Temperature: 1.250000 Total energy: -82.661404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.661404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.661404 (E_RNA) where: Base-Base interactions energy: -28.633 where: short stacking energy: -28.633 Base-Backbone interact. energy: -0.032 local terms energy: -53.996130 where: bonds (distance) C4'-P energy: -9.316 bonds (distance) P-C4' energy: -16.600 flat angles C4'-P-C4' energy: -12.441 flat angles P-C4'-P energy: -8.361 tors. eta vs tors. theta energy: -7.279 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 211 Temperature: 1.300000 Total energy: -77.242435 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.242435 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.242435 (E_RNA) where: Base-Base interactions energy: -32.978 where: short stacking energy: -32.978 Base-Backbone interact. energy: 0.203 local terms energy: -44.467194 where: bonds (distance) C4'-P energy: -11.906 bonds (distance) P-C4' energy: -6.032 flat angles C4'-P-C4' energy: -9.603 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -10.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 211 Temperature: 1.350000 Total energy: -71.520291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.520291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.520291 (E_RNA) where: Base-Base interactions energy: -29.718 where: short stacking energy: -29.718 Base-Backbone interact. energy: -0.123 local terms energy: -41.679483 where: bonds (distance) C4'-P energy: -11.471 bonds (distance) P-C4' energy: -11.635 flat angles C4'-P-C4' energy: -12.666 flat angles P-C4'-P energy: -2.963 tors. eta vs tors. theta energy: -2.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 212 Temperature: 0.900000 Total energy: -205.710419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.710419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.710419 (E_RNA) where: Base-Base interactions energy: -132.423 where: short stacking energy: -56.599 Base-Backbone interact. energy: -0.290 local terms energy: -72.998082 where: bonds (distance) C4'-P energy: -15.989 bonds (distance) P-C4' energy: -13.704 flat angles C4'-P-C4' energy: -15.642 flat angles P-C4'-P energy: -11.598 tors. eta vs tors. theta energy: -16.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 212 Temperature: 0.950000 Total energy: -191.347456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.347456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.347456 (E_RNA) where: Base-Base interactions energy: -122.099 where: short stacking energy: -60.574 Base-Backbone interact. energy: -0.077 local terms energy: -69.171360 where: bonds (distance) C4'-P energy: -10.706 bonds (distance) P-C4' energy: -15.105 flat angles C4'-P-C4' energy: -15.559 flat angles P-C4'-P energy: -10.485 tors. eta vs tors. theta energy: -17.316 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 212 Temperature: 1.000000 Total energy: -200.801515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.801515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.801515 (E_RNA) where: Base-Base interactions energy: -130.595 where: short stacking energy: -57.665 Base-Backbone interact. energy: -0.105 local terms energy: -70.101827 where: bonds (distance) C4'-P energy: -15.119 bonds (distance) P-C4' energy: -15.616 flat angles C4'-P-C4' energy: -12.132 flat angles P-C4'-P energy: -11.920 tors. eta vs tors. theta energy: -15.315 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: 212 Temperature: 1.050000 Total energy: -173.206917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.206917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.206917 (E_RNA) where: Base-Base interactions energy: -115.807 where: short stacking energy: -51.016 Base-Backbone interact. energy: -0.004 local terms energy: -57.396017 where: bonds (distance) C4'-P energy: -12.001 bonds (distance) P-C4' energy: -11.912 flat angles C4'-P-C4' energy: -11.423 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: -13.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 212 Temperature: 1.100000 Total energy: -175.908681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.908681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.908681 (E_RNA) where: Base-Base interactions energy: -111.283 where: short stacking energy: -47.184 Base-Backbone interact. energy: -0.244 local terms energy: -64.381807 where: bonds (distance) C4'-P energy: -13.029 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -9.145 tors. eta vs tors. theta energy: -14.714 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 212 Temperature: 1.150000 Total energy: -91.918728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.918728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.918728 (E_RNA) where: Base-Base interactions energy: -34.128 where: short stacking energy: -33.380 Base-Backbone interact. energy: -0.004 local terms energy: -57.786613 where: bonds (distance) C4'-P energy: -13.785 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -10.780 flat angles P-C4'-P energy: -9.413 tors. eta vs tors. theta energy: -10.149 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: 8 ===================================== Write number: 212 Temperature: 1.200000 Total energy: -97.454405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.454405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.454405 (E_RNA) where: Base-Base interactions energy: -39.763 where: short stacking energy: -39.763 Base-Backbone interact. energy: -0.001 local terms energy: -57.690470 where: bonds (distance) C4'-P energy: -11.000 bonds (distance) P-C4' energy: -11.514 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -10.385 tors. eta vs tors. theta energy: -11.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 212 Temperature: 1.250000 Total energy: -93.227179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.227179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.227179 (E_RNA) where: Base-Base interactions energy: -49.318 where: short stacking energy: -21.029 Base-Backbone interact. energy: -0.718 local terms energy: -43.191185 where: bonds (distance) C4'-P energy: -11.766 bonds (distance) P-C4' energy: -12.996 flat angles C4'-P-C4' energy: -11.952 flat angles P-C4'-P energy: -7.501 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: 9, replica: 2 ===================================== Write number: 212 Temperature: 1.300000 Total energy: -77.345785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.345785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.345785 (E_RNA) where: Base-Base interactions energy: -34.911 where: short stacking energy: -27.723 Base-Backbone interact. energy: 0.047 local terms energy: -42.481241 where: bonds (distance) C4'-P energy: -6.983 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -14.366 flat angles P-C4'-P energy: -6.154 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: 10, replica: 5 ===================================== Write number: 212 Temperature: 1.350000 Total energy: -72.255139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.255139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.255139 (E_RNA) where: Base-Base interactions energy: -32.836 where: short stacking energy: -27.514 Base-Backbone interact. energy: -0.282 local terms energy: -39.136535 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -6.291 flat angles C4'-P-C4' energy: -13.922 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -3.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 213 Temperature: 0.900000 Total energy: -209.485692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.485692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.485692 (E_RNA) where: Base-Base interactions energy: -142.094 where: short stacking energy: -65.200 Base-Backbone interact. energy: -0.000 local terms energy: -67.391226 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -15.560 flat angles C4'-P-C4' energy: -11.055 flat angles P-C4'-P energy: -10.390 tors. eta vs tors. theta energy: -16.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 213 Temperature: 0.950000 Total energy: -199.102023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.102023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.102023 (E_RNA) where: Base-Base interactions energy: -131.709 where: short stacking energy: -53.997 Base-Backbone interact. energy: -0.026 local terms energy: -67.366381 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -15.995 flat angles C4'-P-C4' energy: -15.490 flat angles P-C4'-P energy: -7.944 tors. eta vs tors. theta energy: -14.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 213 Temperature: 1.000000 Total energy: -189.271122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.271122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.271122 (E_RNA) where: Base-Base interactions energy: -125.990 where: short stacking energy: -55.541 Base-Backbone interact. energy: 0.518 local terms energy: -63.799314 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -11.736 flat angles C4'-P-C4' energy: -14.003 flat angles P-C4'-P energy: -10.616 tors. eta vs tors. theta energy: -15.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 213 Temperature: 1.050000 Total energy: -175.807425 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.807425 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.807425 (E_RNA) where: Base-Base interactions energy: -111.899 where: short stacking energy: -51.726 Base-Backbone interact. energy: -0.010 local terms energy: -63.898250 where: bonds (distance) C4'-P energy: -13.335 bonds (distance) P-C4' energy: -13.299 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -11.177 tors. eta vs tors. theta energy: -12.686 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: 1 ===================================== Write number: 213 Temperature: 1.100000 Total energy: -179.657377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.657377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.657377 (E_RNA) where: Base-Base interactions energy: -117.345 where: short stacking energy: -62.896 Base-Backbone interact. energy: 0.862 local terms energy: -63.174952 where: bonds (distance) C4'-P energy: -11.784 bonds (distance) P-C4' energy: -12.921 flat angles C4'-P-C4' energy: -12.550 flat angles P-C4'-P energy: -9.219 tors. eta vs tors. theta energy: -16.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 213 Temperature: 1.150000 Total energy: -87.679663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.679663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.679663 (E_RNA) where: Base-Base interactions energy: -38.265 where: short stacking energy: -33.318 Base-Backbone interact. energy: -0.009 local terms energy: -49.404924 where: bonds (distance) C4'-P energy: -12.346 bonds (distance) P-C4' energy: -14.766 flat angles C4'-P-C4' energy: -11.897 flat angles P-C4'-P energy: -7.398 tors. eta vs tors. theta energy: -2.998 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: 7 ===================================== Write number: 213 Temperature: 1.200000 Total energy: -93.667445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.667445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.667445 (E_RNA) where: Base-Base interactions energy: -43.092 where: short stacking energy: -43.092 Base-Backbone interact. energy: -0.101 local terms energy: -50.474619 where: bonds (distance) C4'-P energy: -13.579 bonds (distance) P-C4' energy: -11.494 flat angles C4'-P-C4' energy: -6.537 flat angles P-C4'-P energy: -6.739 tors. eta vs tors. theta energy: -12.125 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: 2 ===================================== Write number: 213 Temperature: 1.250000 Total energy: -74.994040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.994040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.994040 (E_RNA) where: Base-Base interactions energy: -32.002 where: short stacking energy: -27.564 Base-Backbone interact. energy: -0.146 local terms energy: -42.846104 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -14.066 flat angles C4'-P-C4' energy: -9.495 flat angles P-C4'-P energy: -6.619 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: 10 ===================================== Write number: 213 Temperature: 1.300000 Total energy: -78.932527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.932527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.932527 (E_RNA) where: Base-Base interactions energy: -34.551 where: short stacking energy: -28.546 Base-Backbone interact. energy: -0.942 local terms energy: -43.438652 where: bonds (distance) C4'-P energy: -8.720 bonds (distance) P-C4' energy: -11.971 flat angles C4'-P-C4' energy: -9.853 flat angles P-C4'-P energy: -4.770 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: 10, replica: 5 ===================================== Write number: 213 Temperature: 1.350000 Total energy: -74.691859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.691859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.691859 (E_RNA) where: Base-Base interactions energy: -27.912 where: short stacking energy: -22.423 Base-Backbone interact. energy: -0.014 local terms energy: -46.766085 where: bonds (distance) C4'-P energy: -14.036 bonds (distance) P-C4' energy: -10.774 flat angles C4'-P-C4' energy: -8.734 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -2.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 214 Temperature: 0.900000 Total energy: -205.940790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.940790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.940790 (E_RNA) where: Base-Base interactions energy: -138.475 where: short stacking energy: -60.669 Base-Backbone interact. energy: -0.000 local terms energy: -67.465351 where: bonds (distance) C4'-P energy: -15.189 bonds (distance) P-C4' energy: -11.848 flat angles C4'-P-C4' energy: -11.737 flat angles P-C4'-P energy: -9.997 tors. eta vs tors. theta energy: -18.694 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: 4 ===================================== Write number: 214 Temperature: 0.950000 Total energy: -214.176365 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.176365 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.176365 (E_RNA) where: Base-Base interactions energy: -145.793 where: short stacking energy: -61.322 Base-Backbone interact. energy: 0.070 local terms energy: -68.453467 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -13.379 flat angles C4'-P-C4' energy: -15.360 flat angles P-C4'-P energy: -9.353 tors. eta vs tors. theta energy: -16.252 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: 3, replica: 3 ===================================== Write number: 214 Temperature: 1.000000 Total energy: -191.045925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.045925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.045925 (E_RNA) where: Base-Base interactions energy: -124.151 where: short stacking energy: -57.729 Base-Backbone interact. energy: -0.160 local terms energy: -66.734791 where: bonds (distance) C4'-P energy: -10.048 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -8.995 tors. eta vs tors. theta energy: -18.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 214 Temperature: 1.050000 Total energy: -170.301834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.301834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.301834 (E_RNA) where: Base-Base interactions energy: -110.719 where: short stacking energy: -51.417 Base-Backbone interact. energy: -0.173 local terms energy: -59.409282 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -9.754 flat angles P-C4'-P energy: -8.112 tors. eta vs tors. theta energy: -13.675 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 214 Temperature: 1.100000 Total energy: -172.711012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.711012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.711012 (E_RNA) where: Base-Base interactions energy: -111.051 where: short stacking energy: -44.250 Base-Backbone interact. energy: -0.134 local terms energy: -61.525538 where: bonds (distance) C4'-P energy: -10.142 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -14.701 flat angles P-C4'-P energy: -9.055 tors. eta vs tors. theta energy: -14.395 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: 214 Temperature: 1.150000 Total energy: -100.301454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.301454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.301454 (E_RNA) where: Base-Base interactions energy: -45.500 where: short stacking energy: -38.159 Base-Backbone interact. energy: -0.069 local terms energy: -54.732537 where: bonds (distance) C4'-P energy: -12.437 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -14.609 flat angles P-C4'-P energy: -6.761 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: 7, replica: 2 ===================================== Write number: 214 Temperature: 1.200000 Total energy: -77.054943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.054943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.054943 (E_RNA) where: Base-Base interactions energy: -36.841 where: short stacking energy: -31.499 Base-Backbone interact. energy: -0.297 local terms energy: -39.916372 where: bonds (distance) C4'-P energy: -14.593 bonds (distance) P-C4' energy: -10.212 flat angles C4'-P-C4' energy: -8.553 flat angles P-C4'-P energy: -4.398 tors. eta vs tors. theta energy: -2.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 214 Temperature: 1.250000 Total energy: -74.537215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.537215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.537215 (E_RNA) where: Base-Base interactions energy: -28.918 where: short stacking energy: -28.918 Base-Backbone interact. energy: -0.021 local terms energy: -45.597722 where: bonds (distance) C4'-P energy: -9.779 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -9.055 flat angles P-C4'-P energy: -8.691 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: 9, replica: 10 ===================================== Write number: 214 Temperature: 1.300000 Total energy: -87.441565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.441565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.441565 (E_RNA) where: Base-Base interactions energy: -30.160 where: short stacking energy: -20.565 Base-Backbone interact. energy: -0.415 local terms energy: -56.866661 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -14.317 flat angles C4'-P-C4' energy: -13.888 flat angles P-C4'-P energy: -10.316 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 214 Temperature: 1.350000 Total energy: -65.962468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.962468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.962468 (E_RNA) where: Base-Base interactions energy: -22.534 where: short stacking energy: -19.807 Base-Backbone interact. energy: -0.140 local terms energy: -43.288667 where: bonds (distance) C4'-P energy: -13.799 bonds (distance) P-C4' energy: -13.246 flat angles C4'-P-C4' energy: -8.787 flat angles P-C4'-P energy: -9.251 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: 1, replica: 9 ===================================== Write number: 215 Temperature: 0.900000 Total energy: -207.578349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.578349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.578349 (E_RNA) where: Base-Base interactions energy: -137.306 where: short stacking energy: -65.004 Base-Backbone interact. energy: -0.039 local terms energy: -70.233454 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -15.143 flat angles P-C4'-P energy: -7.495 tors. eta vs tors. theta energy: -19.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 215 Temperature: 0.950000 Total energy: -202.907926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.907926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.907926 (E_RNA) where: Base-Base interactions energy: -131.063 where: short stacking energy: -58.076 Base-Backbone interact. energy: -0.102 local terms energy: -71.743212 where: bonds (distance) C4'-P energy: -15.091 bonds (distance) P-C4' energy: -14.778 flat angles C4'-P-C4' energy: -15.043 flat angles P-C4'-P energy: -7.603 tors. eta vs tors. theta energy: -19.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 215 Temperature: 1.000000 Total energy: -174.151816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.151816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.151816 (E_RNA) where: Base-Base interactions energy: -115.105 where: short stacking energy: -48.877 Base-Backbone interact. energy: -0.183 local terms energy: -58.863663 where: bonds (distance) C4'-P energy: -12.703 bonds (distance) P-C4' energy: -10.791 flat angles C4'-P-C4' energy: -15.882 flat angles P-C4'-P energy: -5.592 tors. eta vs tors. theta energy: -13.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 215 Temperature: 1.050000 Total energy: -184.777765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.777765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.777765 (E_RNA) where: Base-Base interactions energy: -115.059 where: short stacking energy: -44.428 Base-Backbone interact. energy: -0.010 local terms energy: -69.709453 where: bonds (distance) C4'-P energy: -15.182 bonds (distance) P-C4' energy: -16.100 flat angles C4'-P-C4' energy: -12.803 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -16.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 215 Temperature: 1.100000 Total energy: -164.663492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.663492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.663492 (E_RNA) where: Base-Base interactions energy: -118.241 where: short stacking energy: -49.866 Base-Backbone interact. energy: 3.316 local terms energy: -49.739066 where: bonds (distance) C4'-P energy: -7.863 bonds (distance) P-C4' energy: -9.260 flat angles C4'-P-C4' energy: -14.919 flat angles P-C4'-P energy: -7.360 tors. eta vs tors. theta energy: -10.337 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: 8 ===================================== Write number: 215 Temperature: 1.150000 Total energy: -103.642166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.642166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.642166 (E_RNA) where: Base-Base interactions energy: -52.611 where: short stacking energy: -40.697 Base-Backbone interact. energy: -0.078 local terms energy: -50.953313 where: bonds (distance) C4'-P energy: -14.126 bonds (distance) P-C4' energy: -10.545 flat angles C4'-P-C4' energy: -7.964 flat angles P-C4'-P energy: -8.935 tors. eta vs tors. theta energy: -9.384 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: 2 ===================================== Write number: 215 Temperature: 1.200000 Total energy: -80.339058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.339058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.339058 (E_RNA) where: Base-Base interactions energy: -35.512 where: short stacking energy: -30.978 Base-Backbone interact. energy: -0.879 local terms energy: -43.947809 where: bonds (distance) C4'-P energy: -14.134 bonds (distance) P-C4' energy: -6.759 flat angles C4'-P-C4' energy: -11.244 flat angles P-C4'-P energy: -7.939 tors. eta vs tors. theta energy: -3.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 215 Temperature: 1.250000 Total energy: -85.732786 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.732786 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.732786 (E_RNA) where: Base-Base interactions energy: -50.640 where: short stacking energy: -36.869 Base-Backbone interact. energy: -0.005 local terms energy: -35.087771 where: bonds (distance) C4'-P energy: -12.595 bonds (distance) P-C4' energy: -7.848 flat angles C4'-P-C4' energy: -7.448 flat angles P-C4'-P energy: -5.256 tors. eta vs tors. theta energy: -1.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 215 Temperature: 1.300000 Total energy: -83.418255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.418255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.418255 (E_RNA) where: Base-Base interactions energy: -37.235 where: short stacking energy: -27.077 Base-Backbone interact. energy: -0.152 local terms energy: -46.030846 where: bonds (distance) C4'-P energy: -5.735 bonds (distance) P-C4' energy: -14.200 flat angles C4'-P-C4' energy: -10.252 flat angles P-C4'-P energy: -10.003 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: 10, replica: 5 ===================================== Write number: 215 Temperature: 1.350000 Total energy: -82.715236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.715236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.715236 (E_RNA) where: Base-Base interactions energy: -34.358 where: short stacking energy: -34.358 Base-Backbone interact. energy: -0.033 local terms energy: -48.323985 where: bonds (distance) C4'-P energy: -11.655 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -9.933 flat angles P-C4'-P energy: -5.551 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: 1, replica: 4 ===================================== Write number: 216 Temperature: 0.900000 Total energy: -209.441991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.441991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.441991 (E_RNA) where: Base-Base interactions energy: -136.653 where: short stacking energy: -66.627 Base-Backbone interact. energy: -0.000 local terms energy: -72.788121 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -12.891 flat angles P-C4'-P energy: -12.645 tors. eta vs tors. theta energy: -16.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 216 Temperature: 0.950000 Total energy: -211.124502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.124502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.124502 (E_RNA) where: Base-Base interactions energy: -141.014 where: short stacking energy: -69.155 Base-Backbone interact. energy: -0.052 local terms energy: -70.058602 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -12.291 flat angles P-C4'-P energy: -9.826 tors. eta vs tors. theta energy: -22.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 216 Temperature: 1.000000 Total energy: -177.635925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.635925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.635925 (E_RNA) where: Base-Base interactions energy: -104.823 where: short stacking energy: -50.029 Base-Backbone interact. energy: -0.050 local terms energy: -72.762834 where: bonds (distance) C4'-P energy: -15.741 bonds (distance) P-C4' energy: -15.678 flat angles C4'-P-C4' energy: -15.776 flat angles P-C4'-P energy: -9.577 tors. eta vs tors. theta energy: -15.991 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: 3 ===================================== Write number: 216 Temperature: 1.050000 Total energy: -169.823106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.823106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.823106 (E_RNA) where: Base-Base interactions energy: -110.327 where: short stacking energy: -47.102 Base-Backbone interact. energy: -0.137 local terms energy: -59.359175 where: bonds (distance) C4'-P energy: -8.995 bonds (distance) P-C4' energy: -16.411 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -9.155 tors. eta vs tors. theta energy: -11.862 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: 6 ===================================== Write number: 216 Temperature: 1.100000 Total energy: -177.197417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.197417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.197417 (E_RNA) where: Base-Base interactions energy: -123.229 where: short stacking energy: -49.938 Base-Backbone interact. energy: -0.078 local terms energy: -53.890329 where: bonds (distance) C4'-P energy: -11.989 bonds (distance) P-C4' energy: -7.086 flat angles C4'-P-C4' energy: -15.477 flat angles P-C4'-P energy: -9.509 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: 6, replica: 8 ===================================== Write number: 216 Temperature: 1.150000 Total energy: -112.838928 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.838928 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.838928 (E_RNA) where: Base-Base interactions energy: -57.462 where: short stacking energy: -49.565 Base-Backbone interact. energy: -0.022 local terms energy: -55.354939 where: bonds (distance) C4'-P energy: -12.668 bonds (distance) P-C4' energy: -13.073 flat angles C4'-P-C4' energy: -12.612 flat angles P-C4'-P energy: -9.319 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: 7, replica: 7 ===================================== Write number: 216 Temperature: 1.200000 Total energy: -88.446865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.446865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.446865 (E_RNA) where: Base-Base interactions energy: -33.963 where: short stacking energy: -33.963 Base-Backbone interact. energy: -0.070 local terms energy: -54.413883 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -11.712 flat angles P-C4'-P energy: -9.328 tors. eta vs tors. theta energy: -7.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 216 Temperature: 1.250000 Total energy: -80.425419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.425419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.425419 (E_RNA) where: Base-Base interactions energy: -33.646 where: short stacking energy: -30.206 Base-Backbone interact. energy: -0.143 local terms energy: -46.636736 where: bonds (distance) C4'-P energy: -11.649 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -14.135 flat angles P-C4'-P energy: -3.595 tors. eta vs tors. theta energy: -3.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 216 Temperature: 1.300000 Total energy: -65.570936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.570936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.570936 (E_RNA) where: Base-Base interactions energy: -30.273 where: short stacking energy: -26.811 Base-Backbone interact. energy: -0.176 local terms energy: -35.121536 where: bonds (distance) C4'-P energy: -9.170 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -8.160 flat angles P-C4'-P energy: -5.440 tors. eta vs tors. theta energy: 2.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 216 Temperature: 1.350000 Total energy: -73.696793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.696793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.696793 (E_RNA) where: Base-Base interactions energy: -36.011 where: short stacking energy: -28.564 Base-Backbone interact. energy: -0.068 local terms energy: -37.617638 where: bonds (distance) C4'-P energy: -12.134 bonds (distance) P-C4' energy: -14.481 flat angles C4'-P-C4' energy: -5.565 flat angles P-C4'-P energy: -6.112 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: 1, replica: 4 ===================================== Write number: 217 Temperature: 0.900000 Total energy: -209.011632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.011632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.011632 (E_RNA) where: Base-Base interactions energy: -137.380 where: short stacking energy: -67.487 Base-Backbone interact. energy: -0.000 local terms energy: -71.631364 where: bonds (distance) C4'-P energy: -14.241 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -13.461 flat angles P-C4'-P energy: -10.207 tors. eta vs tors. theta energy: -20.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 217 Temperature: 0.950000 Total energy: -206.149177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.149177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.149177 (E_RNA) where: Base-Base interactions energy: -138.591 where: short stacking energy: -65.038 Base-Backbone interact. energy: -0.013 local terms energy: -67.544994 where: bonds (distance) C4'-P energy: -11.661 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -13.293 flat angles P-C4'-P energy: -9.209 tors. eta vs tors. theta energy: -19.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 217 Temperature: 1.000000 Total energy: -184.016032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.016032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.016032 (E_RNA) where: Base-Base interactions energy: -118.865 where: short stacking energy: -54.819 Base-Backbone interact. energy: -0.200 local terms energy: -64.951219 where: bonds (distance) C4'-P energy: -12.553 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -15.114 flat angles P-C4'-P energy: -5.279 tors. eta vs tors. theta energy: -16.483 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: 6 ===================================== Write number: 217 Temperature: 1.050000 Total energy: -179.689275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.689275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.689275 (E_RNA) where: Base-Base interactions energy: -114.500 where: short stacking energy: -56.724 Base-Backbone interact. energy: -0.008 local terms energy: -65.180702 where: bonds (distance) C4'-P energy: -12.018 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -16.377 flat angles P-C4'-P energy: -10.061 tors. eta vs tors. theta energy: -14.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 217 Temperature: 1.100000 Total energy: -172.236702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.236702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.236702 (E_RNA) where: Base-Base interactions energy: -111.506 where: short stacking energy: -53.149 Base-Backbone interact. energy: -0.255 local terms energy: -60.475999 where: bonds (distance) C4'-P energy: -10.243 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -13.004 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -12.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 217 Temperature: 1.150000 Total energy: -107.090376 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.090376 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.090376 (E_RNA) where: Base-Base interactions energy: -48.088 where: short stacking energy: -48.088 Base-Backbone interact. energy: -0.000 local terms energy: -59.002559 where: bonds (distance) C4'-P energy: -11.316 bonds (distance) P-C4' energy: -13.928 flat angles C4'-P-C4' energy: -12.240 flat angles P-C4'-P energy: -8.115 tors. eta vs tors. theta energy: -13.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 217 Temperature: 1.200000 Total energy: -80.239743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.239743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.239743 (E_RNA) where: Base-Base interactions energy: -31.314 where: short stacking energy: -27.694 Base-Backbone interact. energy: -0.476 local terms energy: -48.449096 where: bonds (distance) C4'-P energy: -14.445 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -8.414 flat angles P-C4'-P energy: -7.911 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: 8, replica: 2 ===================================== Write number: 217 Temperature: 1.250000 Total energy: -84.908629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.908629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.908629 (E_RNA) where: Base-Base interactions energy: -42.072 where: short stacking energy: -42.072 Base-Backbone interact. energy: -0.109 local terms energy: -42.727715 where: bonds (distance) C4'-P energy: -10.378 bonds (distance) P-C4' energy: -4.828 flat angles C4'-P-C4' energy: -11.776 flat angles P-C4'-P energy: -8.774 tors. eta vs tors. theta energy: -6.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 217 Temperature: 1.300000 Total energy: -71.312771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.312771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.312771 (E_RNA) where: Base-Base interactions energy: -30.881 where: short stacking energy: -27.151 Base-Backbone interact. energy: -0.071 local terms energy: -40.360732 where: bonds (distance) C4'-P energy: -7.250 bonds (distance) P-C4' energy: -11.663 flat angles C4'-P-C4' energy: -11.279 flat angles P-C4'-P energy: -9.362 tors. eta vs tors. theta energy: -0.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 217 Temperature: 1.350000 Total energy: -74.967917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.967917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.967917 (E_RNA) where: Base-Base interactions energy: -25.295 where: short stacking energy: -25.295 Base-Backbone interact. energy: -0.998 local terms energy: -48.675426 where: bonds (distance) C4'-P energy: -14.618 bonds (distance) P-C4' energy: -14.038 flat angles C4'-P-C4' energy: -11.143 flat angles P-C4'-P energy: -6.040 tors. eta vs tors. theta energy: -2.837 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: 1, replica: 4 ===================================== Write number: 218 Temperature: 0.900000 Total energy: -207.692621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.692621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.692621 (E_RNA) where: Base-Base interactions energy: -135.322 where: short stacking energy: -65.412 Base-Backbone interact. energy: -0.157 local terms energy: -72.213990 where: bonds (distance) C4'-P energy: -13.141 bonds (distance) P-C4' energy: -12.046 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -12.980 tors. eta vs tors. theta energy: -18.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 218 Temperature: 0.950000 Total energy: -201.370865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.370865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.370865 (E_RNA) where: Base-Base interactions energy: -129.678 where: short stacking energy: -65.345 Base-Backbone interact. energy: -0.101 local terms energy: -71.591661 where: bonds (distance) C4'-P energy: -15.529 bonds (distance) P-C4' energy: -10.968 flat angles C4'-P-C4' energy: -16.875 flat angles P-C4'-P energy: -9.195 tors. eta vs tors. theta energy: -19.025 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: 218 Temperature: 1.000000 Total energy: -171.749675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.749675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.749675 (E_RNA) where: Base-Base interactions energy: -112.463 where: short stacking energy: -50.149 Base-Backbone interact. energy: -0.086 local terms energy: -59.199865 where: bonds (distance) C4'-P energy: -10.164 bonds (distance) P-C4' energy: -15.470 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -11.376 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: 218 Temperature: 1.050000 Total energy: -161.831606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.831606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.831606 (E_RNA) where: Base-Base interactions energy: -101.574 where: short stacking energy: -49.836 Base-Backbone interact. energy: -0.070 local terms energy: -60.187279 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -10.242 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -10.355 tors. eta vs tors. theta energy: -11.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 218 Temperature: 1.100000 Total energy: -165.303419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.303419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.303419 (E_RNA) where: Base-Base interactions energy: -108.942 where: short stacking energy: -49.891 Base-Backbone interact. energy: -0.825 local terms energy: -55.536274 where: bonds (distance) C4'-P energy: -12.594 bonds (distance) P-C4' energy: -13.276 flat angles C4'-P-C4' energy: -12.276 flat angles P-C4'-P energy: -5.986 tors. eta vs tors. theta energy: -11.405 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: 7 ===================================== Write number: 218 Temperature: 1.150000 Total energy: -85.366943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.366943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.366943 (E_RNA) where: Base-Base interactions energy: -39.623 where: short stacking energy: -27.493 Base-Backbone interact. energy: -0.038 local terms energy: -45.705936 where: bonds (distance) C4'-P energy: -12.010 bonds (distance) P-C4' energy: -12.951 flat angles C4'-P-C4' energy: -11.468 flat angles P-C4'-P energy: -5.083 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: 7, replica: 2 ===================================== Write number: 218 Temperature: 1.200000 Total energy: -88.727745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.727745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.727745 (E_RNA) where: Base-Base interactions energy: -33.845 where: short stacking energy: -33.845 Base-Backbone interact. energy: -0.020 local terms energy: -54.862896 where: bonds (distance) C4'-P energy: -10.272 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -9.762 flat angles P-C4'-P energy: -11.215 tors. eta vs tors. theta energy: -7.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 218 Temperature: 1.250000 Total energy: -84.105684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.105684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.105684 (E_RNA) where: Base-Base interactions energy: -32.429 where: short stacking energy: -32.429 Base-Backbone interact. energy: -0.820 local terms energy: -50.857077 where: bonds (distance) C4'-P energy: -15.455 bonds (distance) P-C4' energy: -15.367 flat angles C4'-P-C4' energy: -10.047 flat angles P-C4'-P energy: -7.089 tors. eta vs tors. theta energy: -2.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 218 Temperature: 1.300000 Total energy: -82.761300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.761300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.761300 (E_RNA) where: Base-Base interactions energy: -36.570 where: short stacking energy: -36.570 Base-Backbone interact. energy: 0.305 local terms energy: -46.495822 where: bonds (distance) C4'-P energy: -14.007 bonds (distance) P-C4' energy: -15.139 flat angles C4'-P-C4' energy: -8.913 flat angles P-C4'-P energy: -4.347 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: 10 ===================================== Write number: 218 Temperature: 1.350000 Total energy: -78.203133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.203133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.203133 (E_RNA) where: Base-Base interactions energy: -32.997 where: short stacking energy: -32.997 Base-Backbone interact. energy: -0.065 local terms energy: -45.140864 where: bonds (distance) C4'-P energy: -6.090 bonds (distance) P-C4' energy: -14.516 flat angles C4'-P-C4' energy: -10.255 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -5.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 219 Temperature: 0.900000 Total energy: -197.828543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.828543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.828543 (E_RNA) where: Base-Base interactions energy: -136.119 where: short stacking energy: -59.839 Base-Backbone interact. energy: -0.348 local terms energy: -61.361869 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -14.730 flat angles C4'-P-C4' energy: -9.643 flat angles P-C4'-P energy: -9.106 tors. eta vs tors. theta energy: -14.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 219 Temperature: 0.950000 Total energy: -197.370931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.370931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.370931 (E_RNA) where: Base-Base interactions energy: -127.269 where: short stacking energy: -59.444 Base-Backbone interact. energy: -0.289 local terms energy: -69.812693 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -15.072 flat angles C4'-P-C4' energy: -13.166 flat angles P-C4'-P energy: -10.656 tors. eta vs tors. theta energy: -17.413 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 219 Temperature: 1.000000 Total energy: -159.461258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.461258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.461258 (E_RNA) where: Base-Base interactions energy: -104.549 where: short stacking energy: -37.087 Base-Backbone interact. energy: -0.245 local terms energy: -54.667185 where: bonds (distance) C4'-P energy: -11.952 bonds (distance) P-C4' energy: -16.166 flat angles C4'-P-C4' energy: -11.878 flat angles P-C4'-P energy: -10.135 tors. eta vs tors. theta energy: -4.536 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: 3 ===================================== Write number: 219 Temperature: 1.050000 Total energy: -177.201885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.201885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.201885 (E_RNA) where: Base-Base interactions energy: -114.481 where: short stacking energy: -49.627 Base-Backbone interact. energy: -0.017 local terms energy: -62.704084 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -15.537 flat angles P-C4'-P energy: -8.928 tors. eta vs tors. theta energy: -11.076 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: 1 ===================================== Write number: 219 Temperature: 1.100000 Total energy: -167.765039 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.765039 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.765039 (E_RNA) where: Base-Base interactions energy: -107.582 where: short stacking energy: -49.948 Base-Backbone interact. energy: -0.108 local terms energy: -60.074514 where: bonds (distance) C4'-P energy: -12.991 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -13.842 flat angles P-C4'-P energy: -9.247 tors. eta vs tors. theta energy: -11.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 219 Temperature: 1.150000 Total energy: -98.544159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.544159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.544159 (E_RNA) where: Base-Base interactions energy: -45.010 where: short stacking energy: -36.198 Base-Backbone interact. energy: -0.016 local terms energy: -53.518538 where: bonds (distance) C4'-P energy: -13.707 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -11.667 flat angles P-C4'-P energy: -8.136 tors. eta vs tors. theta energy: -6.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 219 Temperature: 1.200000 Total energy: -98.152835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.152835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.152835 (E_RNA) where: Base-Base interactions energy: -45.442 where: short stacking energy: -44.088 Base-Backbone interact. energy: 0.024 local terms energy: -52.734496 where: bonds (distance) C4'-P energy: -11.078 bonds (distance) P-C4' energy: -12.349 flat angles C4'-P-C4' energy: -11.376 flat angles P-C4'-P energy: -6.443 tors. eta vs tors. theta energy: -11.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 219 Temperature: 1.250000 Total energy: -77.874890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.874890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.874890 (E_RNA) where: Base-Base interactions energy: -24.885 where: short stacking energy: -24.839 Base-Backbone interact. energy: -1.059 local terms energy: -51.931072 where: bonds (distance) C4'-P energy: -16.133 bonds (distance) P-C4' energy: -13.022 flat angles C4'-P-C4' energy: -10.012 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -5.017 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 219 Temperature: 1.300000 Total energy: -80.728957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.728957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.728957 (E_RNA) where: Base-Base interactions energy: -32.033 where: short stacking energy: -32.033 Base-Backbone interact. energy: -0.004 local terms energy: -48.691131 where: bonds (distance) C4'-P energy: -11.862 bonds (distance) P-C4' energy: -15.399 flat angles C4'-P-C4' energy: -10.229 flat angles P-C4'-P energy: -6.592 tors. eta vs tors. theta energy: -4.609 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 219 Temperature: 1.350000 Total energy: -72.853136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.853136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.853136 (E_RNA) where: Base-Base interactions energy: -28.918 where: short stacking energy: -28.747 Base-Backbone interact. energy: -0.317 local terms energy: -43.618153 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -12.964 flat angles C4'-P-C4' energy: -12.199 flat angles P-C4'-P energy: -8.298 tors. eta vs tors. theta energy: 0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 220 Temperature: 0.900000 Total energy: -204.177850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.177850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.177850 (E_RNA) where: Base-Base interactions energy: -131.610 where: short stacking energy: -68.180 Base-Backbone interact. energy: 0.458 local terms energy: -73.025163 where: bonds (distance) C4'-P energy: -11.509 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -15.919 flat angles P-C4'-P energy: -12.655 tors. eta vs tors. theta energy: -17.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 220 Temperature: 0.950000 Total energy: -210.437931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.437931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.437931 (E_RNA) where: Base-Base interactions energy: -141.614 where: short stacking energy: -60.363 Base-Backbone interact. energy: -0.032 local terms energy: -68.792195 where: bonds (distance) C4'-P energy: -15.145 bonds (distance) P-C4' energy: -12.965 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -10.006 tors. eta vs tors. theta energy: -16.663 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: 3 ===================================== Write number: 220 Temperature: 1.000000 Total energy: -181.648932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.648932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.648932 (E_RNA) where: Base-Base interactions energy: -116.072 where: short stacking energy: -54.974 Base-Backbone interact. energy: 0.316 local terms energy: -65.893611 where: bonds (distance) C4'-P energy: -11.303 bonds (distance) P-C4' energy: -14.372 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -16.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 220 Temperature: 1.050000 Total energy: -172.382261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.382261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.382261 (E_RNA) where: Base-Base interactions energy: -119.294 where: short stacking energy: -50.006 Base-Backbone interact. energy: -0.807 local terms energy: -52.281166 where: bonds (distance) C4'-P energy: -15.500 bonds (distance) P-C4' energy: -6.704 flat angles C4'-P-C4' energy: -13.759 flat angles P-C4'-P energy: -8.912 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: 5, replica: 1 ===================================== Write number: 220 Temperature: 1.100000 Total energy: -163.877267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.877267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.877267 (E_RNA) where: Base-Base interactions energy: -112.446 where: short stacking energy: -47.800 Base-Backbone interact. energy: -0.015 local terms energy: -51.416671 where: bonds (distance) C4'-P energy: -9.509 bonds (distance) P-C4' energy: -15.080 flat angles C4'-P-C4' energy: -12.641 flat angles P-C4'-P energy: 0.399 tors. eta vs tors. theta energy: -14.585 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: 7 ===================================== Write number: 220 Temperature: 1.150000 Total energy: -120.114974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.114974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.114974 (E_RNA) where: Base-Base interactions energy: -60.141 where: short stacking energy: -45.626 Base-Backbone interact. energy: -0.004 local terms energy: -59.970064 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -12.548 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -15.831 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: 7, replica: 8 ===================================== Write number: 220 Temperature: 1.200000 Total energy: -88.843460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.843460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.843460 (E_RNA) where: Base-Base interactions energy: -36.165 where: short stacking energy: -33.318 Base-Backbone interact. energy: -0.057 local terms energy: -52.621961 where: bonds (distance) C4'-P energy: -13.166 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -11.804 flat angles P-C4'-P energy: -8.994 tors. eta vs tors. theta energy: -6.962 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 220 Temperature: 1.250000 Total energy: -86.386040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.386040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.386040 (E_RNA) where: Base-Base interactions energy: -37.441 where: short stacking energy: -27.527 Base-Backbone interact. energy: -0.203 local terms energy: -48.742885 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -9.876 flat angles P-C4'-P energy: -6.020 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: 9, replica: 5 ===================================== Write number: 220 Temperature: 1.300000 Total energy: -91.456057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.456057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.456057 (E_RNA) where: Base-Base interactions energy: -42.232 where: short stacking energy: -26.505 Base-Backbone interact. energy: -0.115 local terms energy: -49.108974 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -16.436 flat angles C4'-P-C4' energy: -13.507 flat angles P-C4'-P energy: -1.359 tors. eta vs tors. theta energy: -4.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 220 Temperature: 1.350000 Total energy: -73.075128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.075128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.075128 (E_RNA) where: Base-Base interactions energy: -21.157 where: short stacking energy: -20.206 Base-Backbone interact. energy: -0.039 local terms energy: -51.879464 where: bonds (distance) C4'-P energy: -11.609 bonds (distance) P-C4' energy: -14.607 flat angles C4'-P-C4' energy: -12.618 flat angles P-C4'-P energy: -8.646 tors. eta vs tors. theta energy: -4.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 221 Temperature: 0.900000 Total energy: -213.664135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.664135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.664135 (E_RNA) where: Base-Base interactions energy: -140.751 where: short stacking energy: -64.472 Base-Backbone interact. energy: -0.086 local terms energy: -72.826931 where: bonds (distance) C4'-P energy: -14.441 bonds (distance) P-C4' energy: -13.713 flat angles C4'-P-C4' energy: -14.980 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -18.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 221 Temperature: 0.950000 Total energy: -179.487036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.487036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.487036 (E_RNA) where: Base-Base interactions energy: -113.893 where: short stacking energy: -61.541 Base-Backbone interact. energy: -0.046 local terms energy: -65.548439 where: bonds (distance) C4'-P energy: -13.754 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -16.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 221 Temperature: 1.000000 Total energy: -204.636666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.636666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.636666 (E_RNA) where: Base-Base interactions energy: -129.320 where: short stacking energy: -68.395 Base-Backbone interact. energy: -0.474 local terms energy: -74.842070 where: bonds (distance) C4'-P energy: -12.908 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -14.417 flat angles P-C4'-P energy: -11.526 tors. eta vs tors. theta energy: -19.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 221 Temperature: 1.050000 Total energy: -178.745119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.745119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.745119 (E_RNA) where: Base-Base interactions energy: -114.383 where: short stacking energy: -48.871 Base-Backbone interact. energy: -0.060 local terms energy: -64.302474 where: bonds (distance) C4'-P energy: -14.022 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -14.252 flat angles P-C4'-P energy: -10.205 tors. eta vs tors. theta energy: -12.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 221 Temperature: 1.100000 Total energy: -170.413334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.413334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.413334 (E_RNA) where: Base-Base interactions energy: -117.588 where: short stacking energy: -49.413 Base-Backbone interact. energy: -0.184 local terms energy: -52.641183 where: bonds (distance) C4'-P energy: -10.583 bonds (distance) P-C4' energy: -11.873 flat angles C4'-P-C4' energy: -14.692 flat angles P-C4'-P energy: -6.031 tors. eta vs tors. theta energy: -9.463 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: 6, replica: 7 ===================================== Write number: 221 Temperature: 1.150000 Total energy: -114.655627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -114.655627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -114.655627 (E_RNA) where: Base-Base interactions energy: -65.410 where: short stacking energy: -39.517 Base-Backbone interact. energy: -0.219 local terms energy: -49.026804 where: bonds (distance) C4'-P energy: -9.580 bonds (distance) P-C4' energy: -12.721 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -2.339 tors. eta vs tors. theta energy: -9.089 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: 8 ===================================== Write number: 221 Temperature: 1.200000 Total energy: -122.278444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.278444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.278444 (E_RNA) where: Base-Base interactions energy: -73.302 where: short stacking energy: -41.361 Base-Backbone interact. energy: 0.926 local terms energy: -49.902567 where: bonds (distance) C4'-P energy: -11.074 bonds (distance) P-C4' energy: -13.074 flat angles C4'-P-C4' energy: -12.830 flat angles P-C4'-P energy: -4.919 tors. eta vs tors. theta energy: -8.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 221 Temperature: 1.250000 Total energy: -87.679407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.679407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.679407 (E_RNA) where: Base-Base interactions energy: -39.699 where: short stacking energy: -29.048 Base-Backbone interact. energy: 0.644 local terms energy: -48.624386 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -12.370 flat angles C4'-P-C4' energy: -14.595 flat angles P-C4'-P energy: -3.923 tors. eta vs tors. theta energy: -3.950 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 221 Temperature: 1.300000 Total energy: -74.896426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.896426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.896426 (E_RNA) where: Base-Base interactions energy: -27.390 where: short stacking energy: -24.302 Base-Backbone interact. energy: -0.183 local terms energy: -47.323455 where: bonds (distance) C4'-P energy: -15.704 bonds (distance) P-C4' energy: -8.477 flat angles C4'-P-C4' energy: -12.170 flat angles P-C4'-P energy: -10.319 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: 10, replica: 10 ===================================== Write number: 221 Temperature: 1.350000 Total energy: -76.654922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.654922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.654922 (E_RNA) where: Base-Base interactions energy: -30.754 where: short stacking energy: -30.754 Base-Backbone interact. energy: -0.118 local terms energy: -45.783110 where: bonds (distance) C4'-P energy: -11.463 bonds (distance) P-C4' energy: -13.610 flat angles C4'-P-C4' energy: -10.367 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -4.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 222 Temperature: 0.900000 Total energy: -191.655111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.655111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.655111 (E_RNA) where: Base-Base interactions energy: -118.124 where: short stacking energy: -57.225 Base-Backbone interact. energy: -0.001 local terms energy: -73.530756 where: bonds (distance) C4'-P energy: -15.707 bonds (distance) P-C4' energy: -16.576 flat angles C4'-P-C4' energy: -15.156 flat angles P-C4'-P energy: -10.197 tors. eta vs tors. theta energy: -15.896 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: 4 ===================================== Write number: 222 Temperature: 0.950000 Total energy: -211.340954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.340954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.340954 (E_RNA) where: Base-Base interactions energy: -142.727 where: short stacking energy: -66.829 Base-Backbone interact. energy: -0.149 local terms energy: -68.465513 where: bonds (distance) C4'-P energy: -13.891 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -14.199 flat angles P-C4'-P energy: -11.701 tors. eta vs tors. theta energy: -17.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 222 Temperature: 1.000000 Total energy: -208.308908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.308908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.308908 (E_RNA) where: Base-Base interactions energy: -139.162 where: short stacking energy: -68.435 Base-Backbone interact. energy: -0.712 local terms energy: -68.434862 where: bonds (distance) C4'-P energy: -15.430 bonds (distance) P-C4' energy: -10.415 flat angles C4'-P-C4' energy: -16.308 flat angles P-C4'-P energy: -7.987 tors. eta vs tors. theta energy: -18.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 222 Temperature: 1.050000 Total energy: -180.791695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.791695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.791695 (E_RNA) where: Base-Base interactions energy: -121.188 where: short stacking energy: -62.726 Base-Backbone interact. energy: -0.001 local terms energy: -59.602552 where: bonds (distance) C4'-P energy: -7.788 bonds (distance) P-C4' energy: -13.543 flat angles C4'-P-C4' energy: -10.446 flat angles P-C4'-P energy: -10.520 tors. eta vs tors. theta energy: -17.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 222 Temperature: 1.100000 Total energy: -159.557783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.557783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.557783 (E_RNA) where: Base-Base interactions energy: -101.068 where: short stacking energy: -39.591 Base-Backbone interact. energy: -0.918 local terms energy: -57.571681 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -11.010 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -9.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 222 Temperature: 1.150000 Total energy: -128.541963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.541963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.541963 (E_RNA) where: Base-Base interactions energy: -67.258 where: short stacking energy: -40.446 Base-Backbone interact. energy: -0.193 local terms energy: -61.091045 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -8.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 222 Temperature: 1.200000 Total energy: -84.344867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.344867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.344867 (E_RNA) where: Base-Base interactions energy: -32.538 where: short stacking energy: -30.243 Base-Backbone interact. energy: -0.056 local terms energy: -51.751314 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -15.784 flat angles C4'-P-C4' energy: -14.640 flat angles P-C4'-P energy: -8.848 tors. eta vs tors. theta energy: -0.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 222 Temperature: 1.250000 Total energy: -86.509933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.509933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.509933 (E_RNA) where: Base-Base interactions energy: -36.164 where: short stacking energy: -36.164 Base-Backbone interact. energy: 1.180 local terms energy: -51.525821 where: bonds (distance) C4'-P energy: -10.159 bonds (distance) P-C4' energy: -10.413 flat angles C4'-P-C4' energy: -13.040 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -8.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 222 Temperature: 1.300000 Total energy: -76.303762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.303762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.303762 (E_RNA) where: Base-Base interactions energy: -32.316 where: short stacking energy: -15.166 Base-Backbone interact. energy: -0.397 local terms energy: -43.590805 where: bonds (distance) C4'-P energy: -9.642 bonds (distance) P-C4' energy: -15.649 flat angles C4'-P-C4' energy: -6.624 flat angles P-C4'-P energy: -10.131 tors. eta vs tors. theta energy: -1.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 222 Temperature: 1.350000 Total energy: -75.103465 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.103465 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.103465 (E_RNA) where: Base-Base interactions energy: -31.565 where: short stacking energy: -31.270 Base-Backbone interact. energy: -1.084 local terms energy: -42.454078 where: bonds (distance) C4'-P energy: -7.704 bonds (distance) P-C4' energy: -14.957 flat angles C4'-P-C4' energy: -9.926 flat angles P-C4'-P energy: -6.232 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: 223 Temperature: 0.900000 Total energy: -187.782217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.782217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.782217 (E_RNA) where: Base-Base interactions energy: -123.095 where: short stacking energy: -57.036 Base-Backbone interact. energy: 1.752 local terms energy: -66.438949 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -11.739 flat angles P-C4'-P energy: -7.824 tors. eta vs tors. theta energy: -19.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 223 Temperature: 0.950000 Total energy: -203.933334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.933334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.933334 (E_RNA) where: Base-Base interactions energy: -128.664 where: short stacking energy: -58.470 Base-Backbone interact. energy: -0.171 local terms energy: -75.097957 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -15.552 flat angles C4'-P-C4' energy: -15.359 flat angles P-C4'-P energy: -9.341 tors. eta vs tors. theta energy: -20.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 223 Temperature: 1.000000 Total energy: -212.450864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.450864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.450864 (E_RNA) where: Base-Base interactions energy: -143.258 where: short stacking energy: -69.332 Base-Backbone interact. energy: -0.000 local terms energy: -69.192389 where: bonds (distance) C4'-P energy: -13.180 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -14.574 flat angles P-C4'-P energy: -7.408 tors. eta vs tors. theta energy: -19.991 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: 6 ===================================== Write number: 223 Temperature: 1.050000 Total energy: -168.283593 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.283593 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.283593 (E_RNA) where: Base-Base interactions energy: -110.201 where: short stacking energy: -54.039 Base-Backbone interact. energy: 0.084 local terms energy: -58.166007 where: bonds (distance) C4'-P energy: -12.425 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -7.392 tors. eta vs tors. theta energy: -11.030 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: 1 ===================================== Write number: 223 Temperature: 1.100000 Total energy: -180.316613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.316613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.316613 (E_RNA) where: Base-Base interactions energy: -116.698 where: short stacking energy: -55.758 Base-Backbone interact. energy: -0.004 local terms energy: -63.613851 where: bonds (distance) C4'-P energy: -14.001 bonds (distance) P-C4' energy: -13.460 flat angles C4'-P-C4' energy: -10.984 flat angles P-C4'-P energy: -6.794 tors. eta vs tors. theta energy: -18.375 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 223 Temperature: 1.150000 Total energy: -103.138228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.138228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.138228 (E_RNA) where: Base-Base interactions energy: -47.485 where: short stacking energy: -47.485 Base-Backbone interact. energy: -0.012 local terms energy: -55.641656 where: bonds (distance) C4'-P energy: -12.686 bonds (distance) P-C4' energy: -14.119 flat angles C4'-P-C4' energy: -14.412 flat angles P-C4'-P energy: -5.887 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: 7, replica: 7 ===================================== Write number: 223 Temperature: 1.200000 Total energy: -126.390615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.390615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.390615 (E_RNA) where: Base-Base interactions energy: -74.104 where: short stacking energy: -41.850 Base-Backbone interact. energy: -0.254 local terms energy: -52.032158 where: bonds (distance) C4'-P energy: -12.265 bonds (distance) P-C4' energy: -15.427 flat angles C4'-P-C4' energy: -13.173 flat angles P-C4'-P energy: -4.499 tors. eta vs tors. theta energy: -6.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 223 Temperature: 1.250000 Total energy: -76.761957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.761957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.761957 (E_RNA) where: Base-Base interactions energy: -26.436 where: short stacking energy: -26.436 Base-Backbone interact. energy: 1.960 local terms energy: -52.286182 where: bonds (distance) C4'-P energy: -12.458 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -13.753 flat angles P-C4'-P energy: -9.520 tors. eta vs tors. theta energy: -1.706 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: 10 ===================================== Write number: 223 Temperature: 1.300000 Total energy: -69.983843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.983843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.983843 (E_RNA) where: Base-Base interactions energy: -26.309 where: short stacking energy: -20.236 Base-Backbone interact. energy: -0.071 local terms energy: -43.604355 where: bonds (distance) C4'-P energy: -14.189 bonds (distance) P-C4' energy: -13.561 flat angles C4'-P-C4' energy: -9.313 flat angles P-C4'-P energy: -5.099 tors. eta vs tors. theta energy: -1.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 223 Temperature: 1.350000 Total energy: -81.477778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.477778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.477778 (E_RNA) where: Base-Base interactions energy: -30.324 where: short stacking energy: -27.219 Base-Backbone interact. energy: -0.003 local terms energy: -51.151257 where: bonds (distance) C4'-P energy: -13.913 bonds (distance) P-C4' energy: -13.916 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -5.348 tors. eta vs tors. theta energy: -5.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 224 Temperature: 0.900000 Total energy: -210.961458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.961458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.961458 (E_RNA) where: Base-Base interactions energy: -138.451 where: short stacking energy: -61.909 Base-Backbone interact. energy: -0.001 local terms energy: -72.509679 where: bonds (distance) C4'-P energy: -14.576 bonds (distance) P-C4' energy: -15.044 flat angles C4'-P-C4' energy: -14.316 flat angles P-C4'-P energy: -9.411 tors. eta vs tors. theta energy: -19.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 224 Temperature: 0.950000 Total energy: -178.293701 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.293701 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.293701 (E_RNA) where: Base-Base interactions energy: -112.342 where: short stacking energy: -52.047 Base-Backbone interact. energy: -0.802 local terms energy: -65.149711 where: bonds (distance) C4'-P energy: -9.275 bonds (distance) P-C4' energy: -15.065 flat angles C4'-P-C4' energy: -14.300 flat angles P-C4'-P energy: -10.090 tors. eta vs tors. theta energy: -16.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 224 Temperature: 1.000000 Total energy: -207.506665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.506665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.506665 (E_RNA) where: Base-Base interactions energy: -138.340 where: short stacking energy: -59.721 Base-Backbone interact. energy: -0.026 local terms energy: -69.141089 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -13.896 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -18.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 224 Temperature: 1.050000 Total energy: -195.680354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.680354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.680354 (E_RNA) where: Base-Base interactions energy: -124.726 where: short stacking energy: -64.062 Base-Backbone interact. energy: -0.015 local terms energy: -70.939790 where: bonds (distance) C4'-P energy: -12.914 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -14.261 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -17.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 224 Temperature: 1.100000 Total energy: -170.986249 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.986249 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.986249 (E_RNA) where: Base-Base interactions energy: -104.199 where: short stacking energy: -48.237 Base-Backbone interact. energy: -0.025 local terms energy: -66.762779 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -15.635 flat angles C4'-P-C4' energy: -14.633 flat angles P-C4'-P energy: -8.569 tors. eta vs tors. theta energy: -14.404 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: 6, replica: 5 ===================================== Write number: 224 Temperature: 1.150000 Total energy: -99.669862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.669862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.669862 (E_RNA) where: Base-Base interactions energy: -49.458 where: short stacking energy: -42.508 Base-Backbone interact. energy: 1.479 local terms energy: -51.690887 where: bonds (distance) C4'-P energy: -11.592 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -6.167 tors. eta vs tors. theta energy: -9.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 224 Temperature: 1.200000 Total energy: -94.701168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.701168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.701168 (E_RNA) where: Base-Base interactions energy: -44.976 where: short stacking energy: -30.815 Base-Backbone interact. energy: -0.047 local terms energy: -49.678693 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -10.350 flat angles C4'-P-C4' energy: -9.342 flat angles P-C4'-P energy: -8.811 tors. eta vs tors. theta energy: -9.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 224 Temperature: 1.250000 Total energy: -86.635446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.635446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.635446 (E_RNA) where: Base-Base interactions energy: -35.789 where: short stacking energy: -22.923 Base-Backbone interact. energy: -0.119 local terms energy: -50.727346 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -11.101 flat angles C4'-P-C4' energy: -14.266 flat angles P-C4'-P energy: -8.378 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: 9, replica: 2 ===================================== Write number: 224 Temperature: 1.300000 Total energy: -82.317336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.317336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.317336 (E_RNA) where: Base-Base interactions energy: -39.109 where: short stacking energy: -31.612 Base-Backbone interact. energy: -0.060 local terms energy: -43.148478 where: bonds (distance) C4'-P energy: -7.650 bonds (distance) P-C4' energy: -13.426 flat angles C4'-P-C4' energy: -11.981 flat angles P-C4'-P energy: -4.436 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: 10, replica: 10 ===================================== Write number: 224 Temperature: 1.350000 Total energy: -77.737121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.737121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.737121 (E_RNA) where: Base-Base interactions energy: -29.753 where: short stacking energy: -21.232 Base-Backbone interact. energy: -0.111 local terms energy: -47.872977 where: bonds (distance) C4'-P energy: -13.670 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -3.967 tors. eta vs tors. theta energy: -4.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 225 Temperature: 0.900000 Total energy: -207.167251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.167251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.167251 (E_RNA) where: Base-Base interactions energy: -140.024 where: short stacking energy: -61.804 Base-Backbone interact. energy: -0.236 local terms energy: -66.907732 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -16.075 flat angles C4'-P-C4' energy: -13.452 flat angles P-C4'-P energy: -11.201 tors. eta vs tors. theta energy: -16.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 225 Temperature: 0.950000 Total energy: -201.786332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.786332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.786332 (E_RNA) where: Base-Base interactions energy: -129.317 where: short stacking energy: -62.353 Base-Backbone interact. energy: -0.090 local terms energy: -72.378562 where: bonds (distance) C4'-P energy: -12.618 bonds (distance) P-C4' energy: -15.048 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -10.612 tors. eta vs tors. theta energy: -20.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 225 Temperature: 1.000000 Total energy: -188.728989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.728989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.728989 (E_RNA) where: Base-Base interactions energy: -120.033 where: short stacking energy: -54.796 Base-Backbone interact. energy: -0.102 local terms energy: -68.593652 where: bonds (distance) C4'-P energy: -14.718 bonds (distance) P-C4' energy: -15.098 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -7.594 tors. eta vs tors. theta energy: -17.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 225 Temperature: 1.050000 Total energy: -186.451202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.451202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.451202 (E_RNA) where: Base-Base interactions energy: -126.857 where: short stacking energy: -54.686 Base-Backbone interact. energy: -0.004 local terms energy: -59.590717 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -11.362 flat angles C4'-P-C4' energy: -8.291 flat angles P-C4'-P energy: -8.511 tors. eta vs tors. theta energy: -16.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 225 Temperature: 1.100000 Total energy: -166.940693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.940693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.940693 (E_RNA) where: Base-Base interactions energy: -112.792 where: short stacking energy: -54.613 Base-Backbone interact. energy: -0.161 local terms energy: -53.987321 where: bonds (distance) C4'-P energy: -8.594 bonds (distance) P-C4' energy: -12.439 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -4.731 tors. eta vs tors. theta energy: -14.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 225 Temperature: 1.150000 Total energy: -91.680699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.680699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.680699 (E_RNA) where: Base-Base interactions energy: -36.308 where: short stacking energy: -36.308 Base-Backbone interact. energy: -0.002 local terms energy: -55.370708 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -16.827 flat angles P-C4'-P energy: -6.091 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: 7, replica: 8 ===================================== Write number: 225 Temperature: 1.200000 Total energy: -80.203678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.203678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.203678 (E_RNA) where: Base-Base interactions energy: -34.604 where: short stacking energy: -33.661 Base-Backbone interact. energy: -0.056 local terms energy: -45.543215 where: bonds (distance) C4'-P energy: -7.258 bonds (distance) P-C4' energy: -14.985 flat angles C4'-P-C4' energy: -11.207 flat angles P-C4'-P energy: -7.888 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: 8, replica: 7 ===================================== Write number: 225 Temperature: 1.250000 Total energy: -91.920460 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.920460 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.920460 (E_RNA) where: Base-Base interactions energy: -37.795 where: short stacking energy: -34.305 Base-Backbone interact. energy: -0.064 local terms energy: -54.061299 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -12.856 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: -6.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 225 Temperature: 1.300000 Total energy: -85.557923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.557923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.557923 (E_RNA) where: Base-Base interactions energy: -45.644 where: short stacking energy: -27.139 Base-Backbone interact. energy: -0.260 local terms energy: -39.654598 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -11.669 flat angles C4'-P-C4' energy: -11.117 flat angles P-C4'-P energy: -6.140 tors. eta vs tors. theta energy: -0.123 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: 225 Temperature: 1.350000 Total energy: -79.184726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.184726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.184726 (E_RNA) where: Base-Base interactions energy: -36.802 where: short stacking energy: -27.435 Base-Backbone interact. energy: 0.968 local terms energy: -43.350327 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -12.513 flat angles C4'-P-C4' energy: -6.555 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -2.588 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 226 Temperature: 0.900000 Total energy: -195.284208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.284208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.284208 (E_RNA) where: Base-Base interactions energy: -128.806 where: short stacking energy: -61.348 Base-Backbone interact. energy: 0.026 local terms energy: -66.504097 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -14.202 flat angles C4'-P-C4' energy: -15.451 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -14.172 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: 2, replica: 9 ===================================== Write number: 226 Temperature: 0.950000 Total energy: -198.499366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.499366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.499366 (E_RNA) where: Base-Base interactions energy: -130.340 where: short stacking energy: -59.319 Base-Backbone interact. energy: -0.048 local terms energy: -68.111843 where: bonds (distance) C4'-P energy: -11.588 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -17.639 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: 3, replica: 3 ===================================== Write number: 226 Temperature: 1.000000 Total energy: -188.358572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.358572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.358572 (E_RNA) where: Base-Base interactions energy: -122.945 where: short stacking energy: -56.834 Base-Backbone interact. energy: -0.019 local terms energy: -65.394552 where: bonds (distance) C4'-P energy: -13.492 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -16.116 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: 6 ===================================== Write number: 226 Temperature: 1.050000 Total energy: -170.413998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.413998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.413998 (E_RNA) where: Base-Base interactions energy: -107.710 where: short stacking energy: -44.665 Base-Backbone interact. energy: -0.168 local terms energy: -62.536771 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -12.096 flat angles C4'-P-C4' energy: -13.224 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -14.091 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: 1 ===================================== Write number: 226 Temperature: 1.100000 Total energy: -174.636005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.636005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.636005 (E_RNA) where: Base-Base interactions energy: -114.327 where: short stacking energy: -49.523 Base-Backbone interact. energy: -0.009 local terms energy: -60.300410 where: bonds (distance) C4'-P energy: -11.017 bonds (distance) P-C4' energy: -13.679 flat angles C4'-P-C4' energy: -12.393 flat angles P-C4'-P energy: -7.454 tors. eta vs tors. theta energy: -15.757 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 226 Temperature: 1.150000 Total energy: -108.532469 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -108.532469 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -108.532469 (E_RNA) where: Base-Base interactions energy: -54.623 where: short stacking energy: -33.705 Base-Backbone interact. energy: -0.141 local terms energy: -53.768603 where: bonds (distance) C4'-P energy: -12.744 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -12.674 flat angles P-C4'-P energy: -8.113 tors. eta vs tors. theta energy: -6.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 226 Temperature: 1.200000 Total energy: -89.266430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.266430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.266430 (E_RNA) where: Base-Base interactions energy: -38.889 where: short stacking energy: -35.882 Base-Backbone interact. energy: -0.124 local terms energy: -50.253819 where: bonds (distance) C4'-P energy: -6.102 bonds (distance) P-C4' energy: -11.760 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -9.214 tors. eta vs tors. theta energy: -11.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 226 Temperature: 1.250000 Total energy: -86.645378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.645378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.645378 (E_RNA) where: Base-Base interactions energy: -48.528 where: short stacking energy: -27.349 Base-Backbone interact. energy: -0.225 local terms energy: -37.892489 where: bonds (distance) C4'-P energy: -10.657 bonds (distance) P-C4' energy: -8.679 flat angles C4'-P-C4' energy: -10.161 flat angles P-C4'-P energy: -7.822 tors. eta vs tors. theta energy: -0.574 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: 2 ===================================== Write number: 226 Temperature: 1.300000 Total energy: -82.255248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.255248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.255248 (E_RNA) where: Base-Base interactions energy: -47.315 where: short stacking energy: -16.367 Base-Backbone interact. energy: -0.445 local terms energy: -34.495583 where: bonds (distance) C4'-P energy: -10.981 bonds (distance) P-C4' energy: -11.957 flat angles C4'-P-C4' energy: -9.980 flat angles P-C4'-P energy: -4.388 tors. eta vs tors. theta energy: 2.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 226 Temperature: 1.350000 Total energy: -78.131053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.131053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.131053 (E_RNA) where: Base-Base interactions energy: -34.532 where: short stacking energy: -29.508 Base-Backbone interact. energy: -0.108 local terms energy: -43.491618 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -11.744 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -5.157 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: 4 ===================================== Write number: 227 Temperature: 0.900000 Total energy: -208.322225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.322225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.322225 (E_RNA) where: Base-Base interactions energy: -134.331 where: short stacking energy: -65.144 Base-Backbone interact. energy: 0.195 local terms energy: -74.185868 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -13.837 flat angles P-C4'-P energy: -11.491 tors. eta vs tors. theta energy: -19.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 227 Temperature: 0.950000 Total energy: -209.032004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.032004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.032004 (E_RNA) where: Base-Base interactions energy: -137.215 where: short stacking energy: -61.883 Base-Backbone interact. energy: -0.233 local terms energy: -71.584883 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -15.726 flat angles P-C4'-P energy: -7.636 tors. eta vs tors. theta energy: -19.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 227 Temperature: 1.000000 Total energy: -185.235415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.235415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.235415 (E_RNA) where: Base-Base interactions energy: -118.201 where: short stacking energy: -54.560 Base-Backbone interact. energy: -0.001 local terms energy: -67.033413 where: bonds (distance) C4'-P energy: -14.526 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -13.396 flat angles P-C4'-P energy: -9.120 tors. eta vs tors. theta energy: -17.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 227 Temperature: 1.050000 Total energy: -180.984093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.984093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.984093 (E_RNA) where: Base-Base interactions energy: -119.778 where: short stacking energy: -52.379 Base-Backbone interact. energy: -0.114 local terms energy: -61.091744 where: bonds (distance) C4'-P energy: -14.655 bonds (distance) P-C4' energy: -11.409 flat angles C4'-P-C4' energy: -11.328 flat angles P-C4'-P energy: -9.671 tors. eta vs tors. theta energy: -14.029 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: 6 ===================================== Write number: 227 Temperature: 1.100000 Total energy: -174.663657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.663657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.663657 (E_RNA) where: Base-Base interactions energy: -117.450 where: short stacking energy: -58.240 Base-Backbone interact. energy: -0.972 local terms energy: -56.242056 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -9.470 flat angles C4'-P-C4' energy: -10.715 flat angles P-C4'-P energy: -10.580 tors. eta vs tors. theta energy: -14.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 227 Temperature: 1.150000 Total energy: -115.204625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -115.204625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -115.204625 (E_RNA) where: Base-Base interactions energy: -61.462 where: short stacking energy: -37.119 Base-Backbone interact. energy: -0.037 local terms energy: -53.705749 where: bonds (distance) C4'-P energy: -10.775 bonds (distance) P-C4' energy: -13.126 flat angles C4'-P-C4' energy: -12.927 flat angles P-C4'-P energy: -8.152 tors. eta vs tors. theta energy: -8.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 227 Temperature: 1.200000 Total energy: -83.493802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.493802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.493802 (E_RNA) where: Base-Base interactions energy: -29.550 where: short stacking energy: -28.595 Base-Backbone interact. energy: -0.023 local terms energy: -53.920835 where: bonds (distance) C4'-P energy: -11.079 bonds (distance) P-C4' energy: -15.004 flat angles C4'-P-C4' energy: -14.352 flat angles P-C4'-P energy: -7.636 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: 8, replica: 2 ===================================== Write number: 227 Temperature: 1.250000 Total energy: -90.978104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.978104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.978104 (E_RNA) where: Base-Base interactions energy: -37.189 where: short stacking energy: -33.123 Base-Backbone interact. energy: -1.466 local terms energy: -52.322666 where: bonds (distance) C4'-P energy: -12.751 bonds (distance) P-C4' energy: -13.133 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -5.246 tors. eta vs tors. theta energy: -9.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 227 Temperature: 1.300000 Total energy: -71.479441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.479441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.479441 (E_RNA) where: Base-Base interactions energy: -29.599 where: short stacking energy: -29.599 Base-Backbone interact. energy: 0.150 local terms energy: -42.030274 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -7.379 flat angles P-C4'-P energy: -0.807 tors. eta vs tors. theta energy: -5.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 227 Temperature: 1.350000 Total energy: -85.414797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.414797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.414797 (E_RNA) where: Base-Base interactions energy: -31.489 where: short stacking energy: -27.003 Base-Backbone interact. energy: 0.846 local terms energy: -54.771480 where: bonds (distance) C4'-P energy: -9.664 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -12.287 flat angles P-C4'-P energy: -9.971 tors. eta vs tors. theta energy: -6.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 228 Temperature: 0.900000 Total energy: -211.305206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.305206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.305206 (E_RNA) where: Base-Base interactions energy: -145.563 where: short stacking energy: -59.029 Base-Backbone interact. energy: -0.154 local terms energy: -65.588415 where: bonds (distance) C4'-P energy: -14.648 bonds (distance) P-C4' energy: -13.187 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -11.497 tors. eta vs tors. theta energy: -12.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 228 Temperature: 0.950000 Total energy: -205.493727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.493727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.493727 (E_RNA) where: Base-Base interactions energy: -140.010 where: short stacking energy: -67.044 Base-Backbone interact. energy: -0.003 local terms energy: -65.481125 where: bonds (distance) C4'-P energy: -10.528 bonds (distance) P-C4' energy: -11.738 flat angles C4'-P-C4' energy: -12.692 flat angles P-C4'-P energy: -11.177 tors. eta vs tors. theta energy: -19.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 228 Temperature: 1.000000 Total energy: -184.838086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.838086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.838086 (E_RNA) where: Base-Base interactions energy: -117.262 where: short stacking energy: -56.099 Base-Backbone interact. energy: -0.079 local terms energy: -67.497089 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -12.355 flat angles P-C4'-P energy: -10.411 tors. eta vs tors. theta energy: -14.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 228 Temperature: 1.050000 Total energy: -185.837427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.837427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.837427 (E_RNA) where: Base-Base interactions energy: -121.601 where: short stacking energy: -53.403 Base-Backbone interact. energy: -0.093 local terms energy: -64.143880 where: bonds (distance) C4'-P energy: -7.304 bonds (distance) P-C4' energy: -15.061 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -8.846 tors. eta vs tors. theta energy: -19.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 228 Temperature: 1.100000 Total energy: -171.944792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.944792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.944792 (E_RNA) where: Base-Base interactions energy: -109.555 where: short stacking energy: -41.130 Base-Backbone interact. energy: 0.258 local terms energy: -62.647293 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -12.852 flat angles C4'-P-C4' energy: -10.518 flat angles P-C4'-P energy: -8.940 tors. eta vs tors. theta energy: -16.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 228 Temperature: 1.150000 Total energy: -92.614132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.614132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.614132 (E_RNA) where: Base-Base interactions energy: -47.697 where: short stacking energy: -28.532 Base-Backbone interact. energy: -1.390 local terms energy: -43.527146 where: bonds (distance) C4'-P energy: -5.627 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -9.199 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -4.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 228 Temperature: 1.200000 Total energy: -97.669457 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.669457 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.669457 (E_RNA) where: Base-Base interactions energy: -38.075 where: short stacking energy: -34.617 Base-Backbone interact. energy: -0.032 local terms energy: -59.562476 where: bonds (distance) C4'-P energy: -16.415 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -12.690 flat angles P-C4'-P energy: -10.396 tors. eta vs tors. theta energy: -7.912 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 228 Temperature: 1.250000 Total energy: -105.265566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.265566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.265566 (E_RNA) where: Base-Base interactions energy: -60.901 where: short stacking energy: -23.186 Base-Backbone interact. energy: 0.984 local terms energy: -45.348178 where: bonds (distance) C4'-P energy: -11.887 bonds (distance) P-C4' energy: -10.800 flat angles C4'-P-C4' energy: -13.234 flat angles P-C4'-P energy: -6.299 tors. eta vs tors. theta energy: -3.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 228 Temperature: 1.300000 Total energy: -84.778974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.778974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.778974 (E_RNA) where: Base-Base interactions energy: -36.007 where: short stacking energy: -36.007 Base-Backbone interact. energy: -0.123 local terms energy: -48.648121 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -10.646 flat angles C4'-P-C4' energy: -8.962 flat angles P-C4'-P energy: -8.280 tors. eta vs tors. theta energy: -7.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 228 Temperature: 1.350000 Total energy: -78.354356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.354356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.354356 (E_RNA) where: Base-Base interactions energy: -30.933 where: short stacking energy: -22.589 Base-Backbone interact. energy: -0.121 local terms energy: -47.300819 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -9.524 flat angles P-C4'-P energy: -6.370 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: 1, replica: 9 ===================================== Write number: 229 Temperature: 0.900000 Total energy: -205.102226 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.102226 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.102226 (E_RNA) where: Base-Base interactions energy: -143.714 where: short stacking energy: -64.209 Base-Backbone interact. energy: 0.218 local terms energy: -61.606626 where: bonds (distance) C4'-P energy: -8.898 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -9.435 flat angles P-C4'-P energy: -10.856 tors. eta vs tors. theta energy: -16.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 229 Temperature: 0.950000 Total energy: -206.067371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.067371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.067371 (E_RNA) where: Base-Base interactions energy: -136.258 where: short stacking energy: -55.805 Base-Backbone interact. energy: -0.185 local terms energy: -69.624237 where: bonds (distance) C4'-P energy: -15.318 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -16.106 flat angles P-C4'-P energy: -8.491 tors. eta vs tors. theta energy: -16.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 229 Temperature: 1.000000 Total energy: -189.811054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.811054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.811054 (E_RNA) where: Base-Base interactions energy: -119.723 where: short stacking energy: -65.508 Base-Backbone interact. energy: 0.263 local terms energy: -70.351024 where: bonds (distance) C4'-P energy: -12.843 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -18.465 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: 6 ===================================== Write number: 229 Temperature: 1.050000 Total energy: -180.226986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.226986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.226986 (E_RNA) where: Base-Base interactions energy: -119.174 where: short stacking energy: -53.566 Base-Backbone interact. energy: -0.780 local terms energy: -60.273322 where: bonds (distance) C4'-P energy: -12.789 bonds (distance) P-C4' energy: -13.111 flat angles C4'-P-C4' energy: -10.609 flat angles P-C4'-P energy: -10.407 tors. eta vs tors. theta energy: -13.356 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: 3 ===================================== Write number: 229 Temperature: 1.100000 Total energy: -185.079686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.079686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.079686 (E_RNA) where: Base-Base interactions energy: -118.347 where: short stacking energy: -56.773 Base-Backbone interact. energy: -0.001 local terms energy: -66.731651 where: bonds (distance) C4'-P energy: -12.196 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -8.419 tors. eta vs tors. theta energy: -18.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 229 Temperature: 1.150000 Total energy: -88.559298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.559298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.559298 (E_RNA) where: Base-Base interactions energy: -31.183 where: short stacking energy: -24.715 Base-Backbone interact. energy: -0.130 local terms energy: -57.247063 where: bonds (distance) C4'-P energy: -13.976 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -14.916 flat angles P-C4'-P energy: -12.375 tors. eta vs tors. theta energy: -2.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 229 Temperature: 1.200000 Total energy: -94.492262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.492262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.492262 (E_RNA) where: Base-Base interactions energy: -37.243 where: short stacking energy: -34.524 Base-Backbone interact. energy: -0.121 local terms energy: -57.128082 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -12.790 flat angles C4'-P-C4' energy: -15.450 flat angles P-C4'-P energy: -9.809 tors. eta vs tors. theta energy: -4.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 229 Temperature: 1.250000 Total energy: -93.493581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.493581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.493581 (E_RNA) where: Base-Base interactions energy: -36.874 where: short stacking energy: -36.874 Base-Backbone interact. energy: -0.008 local terms energy: -56.611810 where: bonds (distance) C4'-P energy: -9.527 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -11.746 flat angles P-C4'-P energy: -7.593 tors. eta vs tors. theta energy: -11.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 229 Temperature: 1.300000 Total energy: -112.639041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.639041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.639041 (E_RNA) where: Base-Base interactions energy: -65.506 where: short stacking energy: -33.980 Base-Backbone interact. energy: -0.289 local terms energy: -46.844261 where: bonds (distance) C4'-P energy: -11.869 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -10.470 flat angles P-C4'-P energy: -3.257 tors. eta vs tors. theta energy: -6.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 229 Temperature: 1.350000 Total energy: -71.589790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.589790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.589790 (E_RNA) where: Base-Base interactions energy: -33.172 where: short stacking energy: -22.585 Base-Backbone interact. energy: -0.204 local terms energy: -38.213815 where: bonds (distance) C4'-P energy: -8.177 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -8.063 flat angles P-C4'-P energy: -7.619 tors. eta vs tors. theta energy: -2.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 230 Temperature: 0.900000 Total energy: -205.135439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.135439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.135439 (E_RNA) where: Base-Base interactions energy: -139.112 where: short stacking energy: -57.740 Base-Backbone interact. energy: 0.036 local terms energy: -66.060036 where: bonds (distance) C4'-P energy: -9.907 bonds (distance) P-C4' energy: -15.206 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -9.073 tors. eta vs tors. theta energy: -18.175 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: 2, replica: 9 ===================================== Write number: 230 Temperature: 0.950000 Total energy: -208.504708 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.504708 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.504708 (E_RNA) where: Base-Base interactions energy: -140.253 where: short stacking energy: -57.303 Base-Backbone interact. energy: -0.136 local terms energy: -68.115672 where: bonds (distance) C4'-P energy: -13.410 bonds (distance) P-C4' energy: -13.088 flat angles C4'-P-C4' energy: -11.534 flat angles P-C4'-P energy: -10.252 tors. eta vs tors. theta energy: -19.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 230 Temperature: 1.000000 Total energy: -201.124326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.124326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.124326 (E_RNA) where: Base-Base interactions energy: -130.548 where: short stacking energy: -68.036 Base-Backbone interact. energy: -0.212 local terms energy: -70.364172 where: bonds (distance) C4'-P energy: -13.605 bonds (distance) P-C4' energy: -13.635 flat angles C4'-P-C4' energy: -14.393 flat angles P-C4'-P energy: -10.627 tors. eta vs tors. theta energy: -18.105 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: 4, replica: 6 ===================================== Write number: 230 Temperature: 1.050000 Total energy: -185.028285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.028285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.028285 (E_RNA) where: Base-Base interactions energy: -115.196 where: short stacking energy: -53.141 Base-Backbone interact. energy: -0.314 local terms energy: -69.518229 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -16.160 flat angles C4'-P-C4' energy: -15.179 flat angles P-C4'-P energy: -9.137 tors. eta vs tors. theta energy: -15.396 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 230 Temperature: 1.100000 Total energy: -171.684180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.684180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.684180 (E_RNA) where: Base-Base interactions energy: -110.838 where: short stacking energy: -47.480 Base-Backbone interact. energy: -0.929 local terms energy: -59.917170 where: bonds (distance) C4'-P energy: -12.481 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -13.998 flat angles P-C4'-P energy: -7.242 tors. eta vs tors. theta energy: -12.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 230 Temperature: 1.150000 Total energy: -96.929238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.929238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.929238 (E_RNA) where: Base-Base interactions energy: -54.928 where: short stacking energy: -28.414 Base-Backbone interact. energy: -0.082 local terms energy: -41.919722 where: bonds (distance) C4'-P energy: -7.426 bonds (distance) P-C4' energy: -12.580 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -6.701 tors. eta vs tors. theta energy: -1.753 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: 8 ===================================== Write number: 230 Temperature: 1.200000 Total energy: -80.212951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.212951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.212951 (E_RNA) where: Base-Base interactions energy: -31.179 where: short stacking energy: -29.842 Base-Backbone interact. energy: -0.152 local terms energy: -48.881790 where: bonds (distance) C4'-P energy: -14.614 bonds (distance) P-C4' energy: -9.868 flat angles C4'-P-C4' energy: -12.044 flat angles P-C4'-P energy: -6.721 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: 8, replica: 2 ===================================== Write number: 230 Temperature: 1.250000 Total energy: -93.433062 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.433062 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.433062 (E_RNA) where: Base-Base interactions energy: -37.668 where: short stacking energy: -37.668 Base-Backbone interact. energy: -0.248 local terms energy: -55.516991 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -11.347 flat angles P-C4'-P energy: -9.306 tors. eta vs tors. theta energy: -8.318 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: 10 ===================================== Write number: 230 Temperature: 1.300000 Total energy: -71.681373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.681373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.681373 (E_RNA) where: Base-Base interactions energy: -30.178 where: short stacking energy: -27.222 Base-Backbone interact. energy: 1.451 local terms energy: -42.954072 where: bonds (distance) C4'-P energy: -8.934 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -10.836 flat angles P-C4'-P energy: -8.375 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: 230 Temperature: 1.350000 Total energy: -73.283836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.283836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.283836 (E_RNA) where: Base-Base interactions energy: -29.344 where: short stacking energy: -29.344 Base-Backbone interact. energy: -0.049 local terms energy: -43.891599 where: bonds (distance) C4'-P energy: -10.177 bonds (distance) P-C4' energy: -10.530 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -7.594 tors. eta vs tors. theta energy: -1.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 231 Temperature: 0.900000 Total energy: -206.949905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.949905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.949905 (E_RNA) where: Base-Base interactions energy: -135.969 where: short stacking energy: -64.027 Base-Backbone interact. energy: -0.000 local terms energy: -70.980816 where: bonds (distance) C4'-P energy: -14.289 bonds (distance) P-C4' energy: -14.647 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -10.475 tors. eta vs tors. theta energy: -18.153 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: 9 ===================================== Write number: 231 Temperature: 0.950000 Total energy: -202.211156 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.211156 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.211156 (E_RNA) where: Base-Base interactions energy: -132.994 where: short stacking energy: -65.584 Base-Backbone interact. energy: 0.048 local terms energy: -69.265953 where: bonds (distance) C4'-P energy: -9.758 bonds (distance) P-C4' energy: -14.635 flat angles C4'-P-C4' energy: -14.240 flat angles P-C4'-P energy: -10.045 tors. eta vs tors. theta energy: -20.589 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: 1 ===================================== Write number: 231 Temperature: 1.000000 Total energy: -190.203748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.203748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.203748 (E_RNA) where: Base-Base interactions energy: -125.076 where: short stacking energy: -60.166 Base-Backbone interact. energy: -0.025 local terms energy: -65.102194 where: bonds (distance) C4'-P energy: -9.406 bonds (distance) P-C4' energy: -14.250 flat angles C4'-P-C4' energy: -15.276 flat angles P-C4'-P energy: -8.246 tors. eta vs tors. theta energy: -17.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 231 Temperature: 1.050000 Total energy: -177.905974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.905974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.905974 (E_RNA) where: Base-Base interactions energy: -120.061 where: short stacking energy: -56.129 Base-Backbone interact. energy: -0.185 local terms energy: -57.660391 where: bonds (distance) C4'-P energy: -10.426 bonds (distance) P-C4' energy: -11.102 flat angles C4'-P-C4' energy: -13.469 flat angles P-C4'-P energy: -7.921 tors. eta vs tors. theta energy: -14.742 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: 231 Temperature: 1.100000 Total energy: -172.189869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.189869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.189869 (E_RNA) where: Base-Base interactions energy: -105.375 where: short stacking energy: -42.961 Base-Backbone interact. energy: -0.075 local terms energy: -66.739880 where: bonds (distance) C4'-P energy: -15.828 bonds (distance) P-C4' energy: -10.712 flat angles C4'-P-C4' energy: -13.698 flat angles P-C4'-P energy: -10.374 tors. eta vs tors. theta energy: -16.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 231 Temperature: 1.150000 Total energy: -91.549058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.549058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.549058 (E_RNA) where: Base-Base interactions energy: -35.016 where: short stacking energy: -33.981 Base-Backbone interact. energy: -0.056 local terms energy: -56.477453 where: bonds (distance) C4'-P energy: -8.703 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -11.473 tors. eta vs tors. theta energy: -8.859 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: 5 ===================================== Write number: 231 Temperature: 1.200000 Total energy: -89.279245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.279245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.279245 (E_RNA) where: Base-Base interactions energy: -44.631 where: short stacking energy: -33.618 Base-Backbone interact. energy: -0.271 local terms energy: -44.377121 where: bonds (distance) C4'-P energy: -8.259 bonds (distance) P-C4' energy: -11.838 flat angles C4'-P-C4' energy: -12.056 flat angles P-C4'-P energy: -4.236 tors. eta vs tors. theta energy: -7.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 231 Temperature: 1.250000 Total energy: -90.528615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.528615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.528615 (E_RNA) where: Base-Base interactions energy: -38.086 where: short stacking energy: -38.086 Base-Backbone interact. energy: -0.084 local terms energy: -52.358529 where: bonds (distance) C4'-P energy: -9.684 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -7.496 tors. eta vs tors. theta energy: -8.405 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: 10 ===================================== Write number: 231 Temperature: 1.300000 Total energy: -77.474518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.474518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.474518 (E_RNA) where: Base-Base interactions energy: -33.198 where: short stacking energy: -33.198 Base-Backbone interact. energy: -0.820 local terms energy: -43.456282 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -10.147 flat angles C4'-P-C4' energy: -8.077 flat angles P-C4'-P energy: -8.252 tors. eta vs tors. theta energy: -4.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 231 Temperature: 1.350000 Total energy: -74.233351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.233351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.233351 (E_RNA) where: Base-Base interactions energy: -26.277 where: short stacking energy: -26.277 Base-Backbone interact. energy: 1.170 local terms energy: -49.126021 where: bonds (distance) C4'-P energy: -9.174 bonds (distance) P-C4' energy: -11.089 flat angles C4'-P-C4' energy: -11.871 flat angles P-C4'-P energy: -11.047 tors. eta vs tors. theta energy: -5.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 232 Temperature: 0.900000 Total energy: -208.192297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.192297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.192297 (E_RNA) where: Base-Base interactions energy: -136.142 where: short stacking energy: -61.891 Base-Backbone interact. energy: -0.001 local terms energy: -72.049496 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -14.700 flat angles C4'-P-C4' energy: -13.595 flat angles P-C4'-P energy: -10.634 tors. eta vs tors. theta energy: -19.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 232 Temperature: 0.950000 Total energy: -205.173781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.173781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.173781 (E_RNA) where: Base-Base interactions energy: -140.013 where: short stacking energy: -66.634 Base-Backbone interact. energy: -0.000 local terms energy: -65.161096 where: bonds (distance) C4'-P energy: -11.374 bonds (distance) P-C4' energy: -12.739 flat angles C4'-P-C4' energy: -11.709 flat angles P-C4'-P energy: -11.108 tors. eta vs tors. theta energy: -18.232 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: 3 ===================================== Write number: 232 Temperature: 1.000000 Total energy: -189.406529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.406529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.406529 (E_RNA) where: Base-Base interactions energy: -116.255 where: short stacking energy: -52.515 Base-Backbone interact. energy: -0.446 local terms energy: -72.705828 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -15.449 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -11.689 tors. eta vs tors. theta energy: -17.546 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: 1 ===================================== Write number: 232 Temperature: 1.050000 Total energy: -190.339147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.339147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.339147 (E_RNA) where: Base-Base interactions energy: -121.119 where: short stacking energy: -55.169 Base-Backbone interact. energy: -0.086 local terms energy: -69.133969 where: bonds (distance) C4'-P energy: -14.490 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -13.630 flat angles P-C4'-P energy: -6.649 tors. eta vs tors. theta energy: -19.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 232 Temperature: 1.100000 Total energy: -179.580634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.580634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.580634 (E_RNA) where: Base-Base interactions energy: -112.130 where: short stacking energy: -50.295 Base-Backbone interact. energy: -0.102 local terms energy: -67.349158 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -16.234 flat angles C4'-P-C4' energy: -13.249 flat angles P-C4'-P energy: -11.076 tors. eta vs tors. theta energy: -12.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 232 Temperature: 1.150000 Total energy: -95.777247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.777247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.777247 (E_RNA) where: Base-Base interactions energy: -42.639 where: short stacking energy: -42.639 Base-Backbone interact. energy: -0.005 local terms energy: -53.133107 where: bonds (distance) C4'-P energy: -14.127 bonds (distance) P-C4' energy: -15.108 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -2.851 tors. eta vs tors. theta energy: -8.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 232 Temperature: 1.200000 Total energy: -96.968136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.968136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.968136 (E_RNA) where: Base-Base interactions energy: -45.698 where: short stacking energy: -45.698 Base-Backbone interact. energy: -0.019 local terms energy: -51.251465 where: bonds (distance) C4'-P energy: -7.473 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -14.986 flat angles P-C4'-P energy: -2.702 tors. eta vs tors. theta energy: -11.307 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: 2 ===================================== Write number: 232 Temperature: 1.250000 Total energy: -71.943818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.943818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.943818 (E_RNA) where: Base-Base interactions energy: -29.171 where: short stacking energy: -26.205 Base-Backbone interact. energy: -0.041 local terms energy: -42.731531 where: bonds (distance) C4'-P energy: -11.960 bonds (distance) P-C4' energy: -16.682 flat angles C4'-P-C4' energy: -9.437 flat angles P-C4'-P energy: -8.018 tors. eta vs tors. theta energy: 3.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 232 Temperature: 1.300000 Total energy: -77.430213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.430213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.430213 (E_RNA) where: Base-Base interactions energy: -29.409 where: short stacking energy: -22.162 Base-Backbone interact. energy: -0.298 local terms energy: -47.722548 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -12.057 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -2.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 232 Temperature: 1.350000 Total energy: -75.701805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.701805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.701805 (E_RNA) where: Base-Base interactions energy: -29.894 where: short stacking energy: -29.894 Base-Backbone interact. energy: -0.105 local terms energy: -45.703056 where: bonds (distance) C4'-P energy: -12.428 bonds (distance) P-C4' energy: -10.434 flat angles C4'-P-C4' energy: -14.070 flat angles P-C4'-P energy: -4.515 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: 1, replica: 9 ===================================== Write number: 233 Temperature: 0.900000 Total energy: -208.091207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.091207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.091207 (E_RNA) where: Base-Base interactions energy: -139.826 where: short stacking energy: -64.992 Base-Backbone interact. energy: -0.033 local terms energy: -68.232345 where: bonds (distance) C4'-P energy: -14.047 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -12.464 flat angles P-C4'-P energy: -8.685 tors. eta vs tors. theta energy: -18.771 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 233 Temperature: 0.950000 Total energy: -193.237236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.237236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.237236 (E_RNA) where: Base-Base interactions energy: -125.425 where: short stacking energy: -61.070 Base-Backbone interact. energy: -0.097 local terms energy: -67.715653 where: bonds (distance) C4'-P energy: -14.478 bonds (distance) P-C4' energy: -13.564 flat angles C4'-P-C4' energy: -15.710 flat angles P-C4'-P energy: -9.675 tors. eta vs tors. theta energy: -14.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 233 Temperature: 1.000000 Total energy: -207.645807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.645807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.645807 (E_RNA) where: Base-Base interactions energy: -136.444 where: short stacking energy: -66.533 Base-Backbone interact. energy: -0.007 local terms energy: -71.195045 where: bonds (distance) C4'-P energy: -13.856 bonds (distance) P-C4' energy: -13.109 flat angles C4'-P-C4' energy: -14.077 flat angles P-C4'-P energy: -11.623 tors. eta vs tors. theta energy: -18.531 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 233 Temperature: 1.050000 Total energy: -176.247739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.247739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.247739 (E_RNA) where: Base-Base interactions energy: -110.425 where: short stacking energy: -51.050 Base-Backbone interact. energy: -0.001 local terms energy: -65.822015 where: bonds (distance) C4'-P energy: -9.470 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -12.730 flat angles P-C4'-P energy: -10.347 tors. eta vs tors. theta energy: -17.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 233 Temperature: 1.100000 Total energy: -173.899545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.899545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.899545 (E_RNA) where: Base-Base interactions energy: -118.144 where: short stacking energy: -59.753 Base-Backbone interact. energy: -0.055 local terms energy: -55.700439 where: bonds (distance) C4'-P energy: -14.524 bonds (distance) P-C4' energy: -7.260 flat angles C4'-P-C4' energy: -14.466 flat angles P-C4'-P energy: -1.398 tors. eta vs tors. theta energy: -18.053 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: 5 ===================================== Write number: 233 Temperature: 1.150000 Total energy: -101.410817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.410817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.410817 (E_RNA) where: Base-Base interactions energy: -54.700 where: short stacking energy: -31.615 Base-Backbone interact. energy: 1.209 local terms energy: -47.919973 where: bonds (distance) C4'-P energy: -7.675 bonds (distance) P-C4' energy: -14.393 flat angles C4'-P-C4' energy: -9.429 flat angles P-C4'-P energy: -9.643 tors. eta vs tors. theta energy: -6.780 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 233 Temperature: 1.200000 Total energy: -81.786361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.786361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.786361 (E_RNA) where: Base-Base interactions energy: -37.298 where: short stacking energy: -37.298 Base-Backbone interact. energy: -0.047 local terms energy: -44.441307 where: bonds (distance) C4'-P energy: -3.396 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -12.861 flat angles P-C4'-P energy: -9.142 tors. eta vs tors. theta energy: -7.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 233 Temperature: 1.250000 Total energy: -88.957372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.957372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.957372 (E_RNA) where: Base-Base interactions energy: -49.872 where: short stacking energy: -27.095 Base-Backbone interact. energy: -0.261 local terms energy: -38.824959 where: bonds (distance) C4'-P energy: -7.627 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -11.884 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: 0.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 233 Temperature: 1.300000 Total energy: -73.086685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.086685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.086685 (E_RNA) where: Base-Base interactions energy: -27.254 where: short stacking energy: -19.709 Base-Backbone interact. energy: -0.436 local terms energy: -45.397030 where: bonds (distance) C4'-P energy: -14.403 bonds (distance) P-C4' energy: -7.891 flat angles C4'-P-C4' energy: -10.929 flat angles P-C4'-P energy: -11.255 tors. eta vs tors. theta energy: -0.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 233 Temperature: 1.350000 Total energy: -67.189305 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.189305 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.189305 (E_RNA) where: Base-Base interactions energy: -28.675 where: short stacking energy: -28.675 Base-Backbone interact. energy: -0.139 local terms energy: -38.375376 where: bonds (distance) C4'-P energy: -10.652 bonds (distance) P-C4' energy: -13.609 flat angles C4'-P-C4' energy: -9.423 flat angles P-C4'-P energy: -7.187 tors. eta vs tors. theta energy: 2.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 234 Temperature: 0.900000 Total energy: -186.517389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.517389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.517389 (E_RNA) where: Base-Base interactions energy: -120.514 where: short stacking energy: -60.495 Base-Backbone interact. energy: -0.074 local terms energy: -65.929205 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -9.199 tors. eta vs tors. theta energy: -14.135 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: 9 ===================================== Write number: 234 Temperature: 0.950000 Total energy: -211.379139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.379139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.379139 (E_RNA) where: Base-Base interactions energy: -135.859 where: short stacking energy: -68.783 Base-Backbone interact. energy: -0.081 local terms energy: -75.439365 where: bonds (distance) C4'-P energy: -14.225 bonds (distance) P-C4' energy: -13.516 flat angles C4'-P-C4' energy: -15.485 flat angles P-C4'-P energy: -10.125 tors. eta vs tors. theta energy: -22.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 234 Temperature: 1.000000 Total energy: -201.049151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.049151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.049151 (E_RNA) where: Base-Base interactions energy: -130.576 where: short stacking energy: -61.810 Base-Backbone interact. energy: -0.045 local terms energy: -70.427858 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -12.006 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -20.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 234 Temperature: 1.050000 Total energy: -177.118663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.118663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.118663 (E_RNA) where: Base-Base interactions energy: -117.385 where: short stacking energy: -56.378 Base-Backbone interact. energy: -0.207 local terms energy: -59.526166 where: bonds (distance) C4'-P energy: -11.025 bonds (distance) P-C4' energy: -11.211 flat angles C4'-P-C4' energy: -10.091 flat angles P-C4'-P energy: -9.947 tors. eta vs tors. theta energy: -17.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 234 Temperature: 1.100000 Total energy: -170.289619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.289619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.289619 (E_RNA) where: Base-Base interactions energy: -114.269 where: short stacking energy: -53.574 Base-Backbone interact. energy: -0.005 local terms energy: -56.015390 where: bonds (distance) C4'-P energy: -8.603 bonds (distance) P-C4' energy: -12.244 flat angles C4'-P-C4' energy: -12.113 flat angles P-C4'-P energy: -8.898 tors. eta vs tors. theta energy: -14.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 234 Temperature: 1.150000 Total energy: -110.123148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -110.123148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -110.123148 (E_RNA) where: Base-Base interactions energy: -55.315 where: short stacking energy: -37.137 Base-Backbone interact. energy: -1.802 local terms energy: -53.005471 where: bonds (distance) C4'-P energy: -13.997 bonds (distance) P-C4' energy: -11.489 flat angles C4'-P-C4' energy: -10.591 flat angles P-C4'-P energy: -10.379 tors. eta vs tors. theta energy: -6.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 234 Temperature: 1.200000 Total energy: -93.536139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.536139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.536139 (E_RNA) where: Base-Base interactions energy: -40.582 where: short stacking energy: -23.849 Base-Backbone interact. energy: 1.408 local terms energy: -54.361713 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -15.048 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -9.285 tors. eta vs tors. theta energy: -5.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 234 Temperature: 1.250000 Total energy: -79.325247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.325247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.325247 (E_RNA) where: Base-Base interactions energy: -25.535 where: short stacking energy: -22.299 Base-Backbone interact. energy: -0.192 local terms energy: -53.598939 where: bonds (distance) C4'-P energy: -11.369 bonds (distance) P-C4' energy: -15.991 flat angles C4'-P-C4' energy: -11.694 flat angles P-C4'-P energy: -8.668 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: 9, replica: 10 ===================================== Write number: 234 Temperature: 1.300000 Total energy: -77.059635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.059635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.059635 (E_RNA) where: Base-Base interactions energy: -26.817 where: short stacking energy: -23.173 Base-Backbone interact. energy: -0.116 local terms energy: -50.126282 where: bonds (distance) C4'-P energy: -12.585 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -12.742 flat angles P-C4'-P energy: -8.189 tors. eta vs tors. theta energy: -2.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 234 Temperature: 1.350000 Total energy: -73.949243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.949243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.949243 (E_RNA) where: Base-Base interactions energy: -29.135 where: short stacking energy: -29.135 Base-Backbone interact. energy: -0.152 local terms energy: -44.661646 where: bonds (distance) C4'-P energy: -10.406 bonds (distance) P-C4' energy: -9.294 flat angles C4'-P-C4' energy: -13.256 flat angles P-C4'-P energy: -9.831 tors. eta vs tors. theta energy: -1.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 235 Temperature: 0.900000 Total energy: -180.054838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.054838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.054838 (E_RNA) where: Base-Base interactions energy: -122.257 where: short stacking energy: -55.976 Base-Backbone interact. energy: -0.003 local terms energy: -57.795041 where: bonds (distance) C4'-P energy: -9.397 bonds (distance) P-C4' energy: -10.918 flat angles C4'-P-C4' energy: -14.192 flat angles P-C4'-P energy: -6.916 tors. eta vs tors. theta energy: -16.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 235 Temperature: 0.950000 Total energy: -215.155613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.155613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.155613 (E_RNA) where: Base-Base interactions energy: -142.747 where: short stacking energy: -68.395 Base-Backbone interact. energy: -0.171 local terms energy: -72.237819 where: bonds (distance) C4'-P energy: -11.948 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -19.809 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: 9 ===================================== Write number: 235 Temperature: 1.000000 Total energy: -206.297684 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.297684 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.297684 (E_RNA) where: Base-Base interactions energy: -136.477 where: short stacking energy: -62.315 Base-Backbone interact. energy: -0.003 local terms energy: -69.817586 where: bonds (distance) C4'-P energy: -14.077 bonds (distance) P-C4' energy: -14.092 flat angles C4'-P-C4' energy: -13.288 flat angles P-C4'-P energy: -10.838 tors. eta vs tors. theta energy: -17.522 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 235 Temperature: 1.050000 Total energy: -167.655972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.655972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.655972 (E_RNA) where: Base-Base interactions energy: -107.888 where: short stacking energy: -44.885 Base-Backbone interact. energy: -0.050 local terms energy: -59.718657 where: bonds (distance) C4'-P energy: -13.960 bonds (distance) P-C4' energy: -13.252 flat angles C4'-P-C4' energy: -11.457 flat angles P-C4'-P energy: -8.639 tors. eta vs tors. theta energy: -12.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 235 Temperature: 1.100000 Total energy: -162.984114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.984114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.984114 (E_RNA) where: Base-Base interactions energy: -107.402 where: short stacking energy: -51.597 Base-Backbone interact. energy: -0.090 local terms energy: -55.492551 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -10.169 flat angles C4'-P-C4' energy: -11.603 flat angles P-C4'-P energy: -5.357 tors. eta vs tors. theta energy: -12.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 235 Temperature: 1.150000 Total energy: -91.311414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.311414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.311414 (E_RNA) where: Base-Base interactions energy: -36.309 where: short stacking energy: -29.411 Base-Backbone interact. energy: -0.167 local terms energy: -54.835094 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -14.887 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -7.155 tors. eta vs tors. theta energy: -6.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 235 Temperature: 1.200000 Total energy: -89.521136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.521136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.521136 (E_RNA) where: Base-Base interactions energy: -38.330 where: short stacking energy: -38.330 Base-Backbone interact. energy: 0.502 local terms energy: -51.693051 where: bonds (distance) C4'-P energy: -11.194 bonds (distance) P-C4' energy: -13.405 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -7.619 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: 8, replica: 10 ===================================== Write number: 235 Temperature: 1.250000 Total energy: -79.586781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.586781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.586781 (E_RNA) where: Base-Base interactions energy: -39.746 where: short stacking energy: -26.930 Base-Backbone interact. energy: -0.391 local terms energy: -39.450111 where: bonds (distance) C4'-P energy: -12.119 bonds (distance) P-C4' energy: -9.786 flat angles C4'-P-C4' energy: -6.640 flat angles P-C4'-P energy: -8.528 tors. eta vs tors. theta energy: -2.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 235 Temperature: 1.300000 Total energy: -81.234340 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.234340 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.234340 (E_RNA) where: Base-Base interactions energy: -31.190 where: short stacking energy: -30.376 Base-Backbone interact. energy: -0.248 local terms energy: -49.796169 where: bonds (distance) C4'-P energy: -6.735 bonds (distance) P-C4' energy: -14.030 flat angles C4'-P-C4' energy: -13.571 flat angles P-C4'-P energy: -9.741 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: 10, replica: 2 ===================================== Write number: 235 Temperature: 1.350000 Total energy: -71.101636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.101636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.101636 (E_RNA) where: Base-Base interactions energy: -21.626 where: short stacking energy: -22.131 Base-Backbone interact. energy: -0.394 local terms energy: -49.081310 where: bonds (distance) C4'-P energy: -8.268 bonds (distance) P-C4' energy: -13.758 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -10.124 tors. eta vs tors. theta energy: -3.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 236 Temperature: 0.900000 Total energy: -202.034420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.034420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.034420 (E_RNA) where: Base-Base interactions energy: -141.189 where: short stacking energy: -59.835 Base-Backbone interact. energy: -0.776 local terms energy: -60.069586 where: bonds (distance) C4'-P energy: -11.679 bonds (distance) P-C4' energy: -14.004 flat angles C4'-P-C4' energy: -13.723 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -13.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 236 Temperature: 0.950000 Total energy: -204.790984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.790984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.790984 (E_RNA) where: Base-Base interactions energy: -135.349 where: short stacking energy: -66.912 Base-Backbone interact. energy: 0.032 local terms energy: -69.473277 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -12.712 flat angles C4'-P-C4' energy: -15.457 flat angles P-C4'-P energy: -11.381 tors. eta vs tors. theta energy: -19.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 236 Temperature: 1.000000 Total energy: -196.030632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.030632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.030632 (E_RNA) where: Base-Base interactions energy: -136.815 where: short stacking energy: -63.664 Base-Backbone interact. energy: -0.045 local terms energy: -59.170438 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -13.281 flat angles C4'-P-C4' energy: -12.186 flat angles P-C4'-P energy: -3.990 tors. eta vs tors. theta energy: -15.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 236 Temperature: 1.050000 Total energy: -183.364864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.364864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.364864 (E_RNA) where: Base-Base interactions energy: -119.930 where: short stacking energy: -57.287 Base-Backbone interact. energy: -0.001 local terms energy: -63.434295 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -13.793 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -7.293 tors. eta vs tors. theta energy: -15.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 236 Temperature: 1.100000 Total energy: -178.232431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.232431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.232431 (E_RNA) where: Base-Base interactions energy: -120.534 where: short stacking energy: -52.623 Base-Backbone interact. energy: -0.066 local terms energy: -57.632341 where: bonds (distance) C4'-P energy: -10.403 bonds (distance) P-C4' energy: -14.895 flat angles C4'-P-C4' energy: -12.237 flat angles P-C4'-P energy: -6.170 tors. eta vs tors. theta energy: -13.928 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: 8 ===================================== Write number: 236 Temperature: 1.150000 Total energy: -91.105155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.105155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.105155 (E_RNA) where: Base-Base interactions energy: -33.291 where: short stacking energy: -26.941 Base-Backbone interact. energy: -0.019 local terms energy: -57.794498 where: bonds (distance) C4'-P energy: -15.140 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -12.365 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: -6.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 236 Temperature: 1.200000 Total energy: -97.002292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.002292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.002292 (E_RNA) where: Base-Base interactions energy: -43.095 where: short stacking energy: -27.741 Base-Backbone interact. energy: -0.414 local terms energy: -53.493883 where: bonds (distance) C4'-P energy: -11.670 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -11.634 flat angles P-C4'-P energy: -9.743 tors. eta vs tors. theta energy: -5.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 236 Temperature: 1.250000 Total energy: -96.263418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.263418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.263418 (E_RNA) where: Base-Base interactions energy: -50.190 where: short stacking energy: -38.490 Base-Backbone interact. energy: -0.229 local terms energy: -45.844028 where: bonds (distance) C4'-P energy: -12.356 bonds (distance) P-C4' energy: -11.821 flat angles C4'-P-C4' energy: -13.494 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -1.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 236 Temperature: 1.300000 Total energy: -74.603151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.603151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.603151 (E_RNA) where: Base-Base interactions energy: -28.498 where: short stacking energy: -23.052 Base-Backbone interact. energy: -0.481 local terms energy: -45.625035 where: bonds (distance) C4'-P energy: -11.817 bonds (distance) P-C4' energy: -12.709 flat angles C4'-P-C4' energy: -8.657 flat angles P-C4'-P energy: -7.945 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: 10, replica: 7 ===================================== Write number: 236 Temperature: 1.350000 Total energy: -72.741296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.741296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.741296 (E_RNA) where: Base-Base interactions energy: -33.681 where: short stacking energy: -32.659 Base-Backbone interact. energy: -0.083 local terms energy: -38.977641 where: bonds (distance) C4'-P energy: -6.968 bonds (distance) P-C4' energy: -13.102 flat angles C4'-P-C4' energy: -9.360 flat angles P-C4'-P energy: -5.546 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 237 Temperature: 0.900000 Total energy: -194.516533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.516533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.516533 (E_RNA) where: Base-Base interactions energy: -130.788 where: short stacking energy: -55.357 Base-Backbone interact. energy: -0.327 local terms energy: -63.402022 where: bonds (distance) C4'-P energy: -12.562 bonds (distance) P-C4' energy: -12.685 flat angles C4'-P-C4' energy: -13.786 flat angles P-C4'-P energy: -9.915 tors. eta vs tors. theta energy: -14.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 237 Temperature: 0.950000 Total energy: -196.254554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.254554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.254554 (E_RNA) where: Base-Base interactions energy: -128.706 where: short stacking energy: -50.760 Base-Backbone interact. energy: 0.289 local terms energy: -67.837490 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -14.838 flat angles C4'-P-C4' energy: -14.655 flat angles P-C4'-P energy: -14.511 tors. eta vs tors. theta energy: -12.157 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: 9 ===================================== Write number: 237 Temperature: 1.000000 Total energy: -210.853491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.853491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.853491 (E_RNA) where: Base-Base interactions energy: -135.840 where: short stacking energy: -66.874 Base-Backbone interact. energy: -0.057 local terms energy: -74.957295 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -15.268 flat angles P-C4'-P energy: -12.085 tors. eta vs tors. theta energy: -19.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 237 Temperature: 1.050000 Total energy: -178.689682 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.689682 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.689682 (E_RNA) where: Base-Base interactions energy: -115.552 where: short stacking energy: -55.299 Base-Backbone interact. energy: -0.142 local terms energy: -62.995292 where: bonds (distance) C4'-P energy: -13.199 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -13.129 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -15.326 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: 6 ===================================== Write number: 237 Temperature: 1.100000 Total energy: -173.812639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.812639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.812639 (E_RNA) where: Base-Base interactions energy: -110.005 where: short stacking energy: -44.139 Base-Backbone interact. energy: -0.101 local terms energy: -63.706911 where: bonds (distance) C4'-P energy: -13.757 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -13.139 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: -14.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 237 Temperature: 1.150000 Total energy: -94.944668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.944668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.944668 (E_RNA) where: Base-Base interactions energy: -42.610 where: short stacking energy: -42.610 Base-Backbone interact. energy: -0.006 local terms energy: -52.328596 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -12.812 flat angles C4'-P-C4' energy: -8.493 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -9.191 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 237 Temperature: 1.200000 Total energy: -81.874283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.874283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.874283 (E_RNA) where: Base-Base interactions energy: -32.348 where: short stacking energy: -32.168 Base-Backbone interact. energy: 2.746 local terms energy: -52.272698 where: bonds (distance) C4'-P energy: -11.078 bonds (distance) P-C4' energy: -15.346 flat angles C4'-P-C4' energy: -15.496 flat angles P-C4'-P energy: -7.091 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 237 Temperature: 1.250000 Total energy: -74.845596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.845596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.845596 (E_RNA) where: Base-Base interactions energy: -23.377 where: short stacking energy: -23.377 Base-Backbone interact. energy: -0.275 local terms energy: -51.193252 where: bonds (distance) C4'-P energy: -14.860 bonds (distance) P-C4' energy: -12.073 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -11.411 tors. eta vs tors. theta energy: -1.226 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: 5 ===================================== Write number: 237 Temperature: 1.300000 Total energy: -82.104450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.104450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.104450 (E_RNA) where: Base-Base interactions energy: -33.280 where: short stacking energy: -27.006 Base-Backbone interact. energy: -0.159 local terms energy: -48.665439 where: bonds (distance) C4'-P energy: -10.992 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -6.775 flat angles P-C4'-P energy: -10.855 tors. eta vs tors. theta energy: -4.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 237 Temperature: 1.350000 Total energy: -72.234999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.234999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.234999 (E_RNA) where: Base-Base interactions energy: -30.618 where: short stacking energy: -29.463 Base-Backbone interact. energy: -0.299 local terms energy: -41.318850 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -12.226 flat angles C4'-P-C4' energy: -9.667 flat angles P-C4'-P energy: -4.746 tors. eta vs tors. theta energy: -0.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 238 Temperature: 0.900000 Total energy: -214.092921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.092921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.092921 (E_RNA) where: Base-Base interactions energy: -137.929 where: short stacking energy: -66.833 Base-Backbone interact. energy: -0.666 local terms energy: -75.498804 where: bonds (distance) C4'-P energy: -13.287 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -10.736 tors. eta vs tors. theta energy: -21.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 238 Temperature: 0.950000 Total energy: -196.251843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.251843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.251843 (E_RNA) where: Base-Base interactions energy: -132.509 where: short stacking energy: -53.653 Base-Backbone interact. energy: -0.225 local terms energy: -63.517934 where: bonds (distance) C4'-P energy: -15.761 bonds (distance) P-C4' energy: -13.169 flat angles C4'-P-C4' energy: -16.355 flat angles P-C4'-P energy: -2.825 tors. eta vs tors. theta energy: -15.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 238 Temperature: 1.000000 Total energy: -201.851371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.851371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.851371 (E_RNA) where: Base-Base interactions energy: -128.604 where: short stacking energy: -62.839 Base-Backbone interact. energy: -0.047 local terms energy: -73.200587 where: bonds (distance) C4'-P energy: -14.730 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -14.330 flat angles P-C4'-P energy: -11.897 tors. eta vs tors. theta energy: -18.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 238 Temperature: 1.050000 Total energy: -181.486146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.486146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.486146 (E_RNA) where: Base-Base interactions energy: -116.115 where: short stacking energy: -49.551 Base-Backbone interact. energy: -0.002 local terms energy: -65.369030 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -13.369 flat angles C4'-P-C4' energy: -12.528 flat angles P-C4'-P energy: -9.514 tors. eta vs tors. theta energy: -16.743 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 238 Temperature: 1.100000 Total energy: -169.409414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.409414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.409414 (E_RNA) where: Base-Base interactions energy: -110.459 where: short stacking energy: -43.434 Base-Backbone interact. energy: -0.004 local terms energy: -58.946331 where: bonds (distance) C4'-P energy: -13.248 bonds (distance) P-C4' energy: -8.981 flat angles C4'-P-C4' energy: -12.626 flat angles P-C4'-P energy: -7.377 tors. eta vs tors. theta energy: -16.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 238 Temperature: 1.150000 Total energy: -100.614770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.614770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.614770 (E_RNA) where: Base-Base interactions energy: -48.103 where: short stacking energy: -48.103 Base-Backbone interact. energy: -0.158 local terms energy: -52.353536 where: bonds (distance) C4'-P energy: -7.427 bonds (distance) P-C4' energy: -12.307 flat angles C4'-P-C4' energy: -10.149 flat angles P-C4'-P energy: -10.407 tors. eta vs tors. theta energy: -12.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 238 Temperature: 1.200000 Total energy: -90.726782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.726782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.726782 (E_RNA) where: Base-Base interactions energy: -37.575 where: short stacking energy: -37.575 Base-Backbone interact. energy: -0.242 local terms energy: -52.909583 where: bonds (distance) C4'-P energy: -10.694 bonds (distance) P-C4' energy: -11.879 flat angles C4'-P-C4' energy: -10.344 flat angles P-C4'-P energy: -12.737 tors. eta vs tors. theta energy: -7.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 238 Temperature: 1.250000 Total energy: -85.323481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.323481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.323481 (E_RNA) where: Base-Base interactions energy: -38.505 where: short stacking energy: -28.461 Base-Backbone interact. energy: -0.334 local terms energy: -46.484412 where: bonds (distance) C4'-P energy: -14.291 bonds (distance) P-C4' energy: -12.800 flat angles C4'-P-C4' energy: -11.216 flat angles P-C4'-P energy: -4.411 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: 9, replica: 5 ===================================== Write number: 238 Temperature: 1.300000 Total energy: -77.841705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.841705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.841705 (E_RNA) where: Base-Base interactions energy: -35.444 where: short stacking energy: -31.371 Base-Backbone interact. energy: 2.241 local terms energy: -44.638280 where: bonds (distance) C4'-P energy: -15.534 bonds (distance) P-C4' energy: -10.665 flat angles C4'-P-C4' energy: -11.371 flat angles P-C4'-P energy: -5.572 tors. eta vs tors. theta energy: -1.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 238 Temperature: 1.350000 Total energy: -86.239079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.239079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.239079 (E_RNA) where: Base-Base interactions energy: -29.194 where: short stacking energy: -29.141 Base-Backbone interact. energy: -0.060 local terms energy: -56.985105 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -13.752 flat angles P-C4'-P energy: -12.374 tors. eta vs tors. theta energy: -3.051 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: 4 ===================================== Write number: 239 Temperature: 0.900000 Total energy: -208.322484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.322484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.322484 (E_RNA) where: Base-Base interactions energy: -138.199 where: short stacking energy: -63.182 Base-Backbone interact. energy: -0.042 local terms energy: -70.081010 where: bonds (distance) C4'-P energy: -13.372 bonds (distance) P-C4' energy: -12.119 flat angles C4'-P-C4' energy: -15.309 flat angles P-C4'-P energy: -11.117 tors. eta vs tors. theta energy: -18.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 239 Temperature: 0.950000 Total energy: -204.147224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.147224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.147224 (E_RNA) where: Base-Base interactions energy: -137.792 where: short stacking energy: -62.252 Base-Backbone interact. energy: -0.012 local terms energy: -66.343302 where: bonds (distance) C4'-P energy: -8.350 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -15.580 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -19.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 239 Temperature: 1.000000 Total energy: -186.529922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.529922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.529922 (E_RNA) where: Base-Base interactions energy: -128.223 where: short stacking energy: -45.241 Base-Backbone interact. energy: 0.593 local terms energy: -58.899653 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -14.456 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -6.976 tors. eta vs tors. theta energy: -10.836 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 239 Temperature: 1.050000 Total energy: -183.751909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.751909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.751909 (E_RNA) where: Base-Base interactions energy: -114.397 where: short stacking energy: -54.559 Base-Backbone interact. energy: -0.049 local terms energy: -69.306016 where: bonds (distance) C4'-P energy: -15.454 bonds (distance) P-C4' energy: -13.607 flat angles C4'-P-C4' energy: -10.958 flat angles P-C4'-P energy: -11.305 tors. eta vs tors. theta energy: -17.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 239 Temperature: 1.100000 Total energy: -163.094636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.094636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.094636 (E_RNA) where: Base-Base interactions energy: -106.741 where: short stacking energy: -51.756 Base-Backbone interact. energy: -0.033 local terms energy: -56.320668 where: bonds (distance) C4'-P energy: -11.836 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -12.290 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -12.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 239 Temperature: 1.150000 Total energy: -98.278562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.278562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.278562 (E_RNA) where: Base-Base interactions energy: -42.176 where: short stacking energy: -37.222 Base-Backbone interact. energy: -0.111 local terms energy: -55.991632 where: bonds (distance) C4'-P energy: -12.624 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -11.503 flat angles P-C4'-P energy: -9.508 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: 7, replica: 8 ===================================== Write number: 239 Temperature: 1.200000 Total energy: -79.570715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.570715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.570715 (E_RNA) where: Base-Base interactions energy: -36.220 where: short stacking energy: -25.184 Base-Backbone interact. energy: -0.122 local terms energy: -43.229276 where: bonds (distance) C4'-P energy: -6.464 bonds (distance) P-C4' energy: -11.941 flat angles C4'-P-C4' energy: -10.693 flat angles P-C4'-P energy: -12.037 tors. eta vs tors. theta energy: -2.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 239 Temperature: 1.250000 Total energy: -77.149573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.149573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.149573 (E_RNA) where: Base-Base interactions energy: -25.662 where: short stacking energy: -21.010 Base-Backbone interact. energy: 0.893 local terms energy: -52.380247 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -14.935 flat angles C4'-P-C4' energy: -12.713 flat angles P-C4'-P energy: -8.165 tors. eta vs tors. theta energy: -4.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 239 Temperature: 1.300000 Total energy: -97.727296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.727296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.727296 (E_RNA) where: Base-Base interactions energy: -53.295 where: short stacking energy: -29.406 Base-Backbone interact. energy: -0.138 local terms energy: -44.294231 where: bonds (distance) C4'-P energy: -13.471 bonds (distance) P-C4' energy: -9.277 flat angles C4'-P-C4' energy: -8.159 flat angles P-C4'-P energy: -9.928 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: 10, replica: 7 ===================================== Write number: 239 Temperature: 1.350000 Total energy: -74.305309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.305309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.305309 (E_RNA) where: Base-Base interactions energy: -30.025 where: short stacking energy: -30.025 Base-Backbone interact. energy: -0.113 local terms energy: -44.166615 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -13.600 flat angles C4'-P-C4' energy: -8.347 flat angles P-C4'-P energy: -5.169 tors. eta vs tors. theta energy: -4.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 240 Temperature: 0.900000 Total energy: -209.206986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.206986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.206986 (E_RNA) where: Base-Base interactions energy: -132.328 where: short stacking energy: -68.673 Base-Backbone interact. energy: -0.004 local terms energy: -76.875508 where: bonds (distance) C4'-P energy: -14.540 bonds (distance) P-C4' energy: -13.571 flat angles C4'-P-C4' energy: -16.953 flat angles P-C4'-P energy: -11.537 tors. eta vs tors. theta energy: -20.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 240 Temperature: 0.950000 Total energy: -207.534657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.534657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.534657 (E_RNA) where: Base-Base interactions energy: -132.693 where: short stacking energy: -59.069 Base-Backbone interact. energy: -0.069 local terms energy: -74.773557 where: bonds (distance) C4'-P energy: -15.277 bonds (distance) P-C4' energy: -14.079 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -11.752 tors. eta vs tors. theta energy: -19.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 240 Temperature: 1.000000 Total energy: -192.266750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.266750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.266750 (E_RNA) where: Base-Base interactions energy: -127.883 where: short stacking energy: -60.327 Base-Backbone interact. energy: -0.005 local terms energy: -64.378793 where: bonds (distance) C4'-P energy: -11.633 bonds (distance) P-C4' energy: -14.716 flat angles C4'-P-C4' energy: -10.678 flat angles P-C4'-P energy: -10.031 tors. eta vs tors. theta energy: -17.320 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: 1 ===================================== Write number: 240 Temperature: 1.050000 Total energy: -185.209927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.209927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.209927 (E_RNA) where: Base-Base interactions energy: -120.282 where: short stacking energy: -56.649 Base-Backbone interact. energy: -0.004 local terms energy: -64.923503 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -14.618 flat angles C4'-P-C4' energy: -13.277 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -15.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 240 Temperature: 1.100000 Total energy: -173.373898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.373898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.373898 (E_RNA) where: Base-Base interactions energy: -110.761 where: short stacking energy: -52.886 Base-Backbone interact. energy: -0.012 local terms energy: -62.600572 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -14.192 flat angles C4'-P-C4' energy: -12.128 flat angles P-C4'-P energy: -10.059 tors. eta vs tors. theta energy: -13.376 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: 6, replica: 2 ===================================== Write number: 240 Temperature: 1.150000 Total energy: -92.209085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.209085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.209085 (E_RNA) where: Base-Base interactions energy: -53.801 where: short stacking energy: -35.034 Base-Backbone interact. energy: -0.006 local terms energy: -38.401205 where: bonds (distance) C4'-P energy: -9.367 bonds (distance) P-C4' energy: -14.081 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -5.527 tors. eta vs tors. theta energy: -1.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 240 Temperature: 1.200000 Total energy: -87.406334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.406334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.406334 (E_RNA) where: Base-Base interactions energy: -43.734 where: short stacking energy: -42.903 Base-Backbone interact. energy: -0.123 local terms energy: -43.548766 where: bonds (distance) C4'-P energy: -10.652 bonds (distance) P-C4' energy: -10.083 flat angles C4'-P-C4' energy: -11.060 flat angles P-C4'-P energy: -6.543 tors. eta vs tors. theta energy: -5.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 240 Temperature: 1.250000 Total energy: -86.065149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.065149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.065149 (E_RNA) where: Base-Base interactions energy: -28.999 where: short stacking energy: -28.999 Base-Backbone interact. energy: -0.057 local terms energy: -57.008815 where: bonds (distance) C4'-P energy: -13.326 bonds (distance) P-C4' energy: -14.466 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -6.603 tors. eta vs tors. theta energy: -10.146 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: 7 ===================================== Write number: 240 Temperature: 1.300000 Total energy: -75.163551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.163551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.163551 (E_RNA) where: Base-Base interactions energy: -36.879 where: short stacking energy: -28.250 Base-Backbone interact. energy: -0.002 local terms energy: -38.282840 where: bonds (distance) C4'-P energy: -4.968 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -1.656 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: 10, replica: 10 ===================================== Write number: 240 Temperature: 1.350000 Total energy: -76.868608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.868608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.868608 (E_RNA) where: Base-Base interactions energy: -29.972 where: short stacking energy: -29.972 Base-Backbone interact. energy: -0.000 local terms energy: -46.896368 where: bonds (distance) C4'-P energy: -9.066 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -10.175 flat angles P-C4'-P energy: -8.349 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: 1, replica: 9 ===================================== Write number: 241 Temperature: 0.900000 Total energy: -215.282820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.282820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.282820 (E_RNA) where: Base-Base interactions energy: -142.866 where: short stacking energy: -66.816 Base-Backbone interact. energy: -0.000 local terms energy: -72.415916 where: bonds (distance) C4'-P energy: -13.612 bonds (distance) P-C4' energy: -15.927 flat angles C4'-P-C4' energy: -10.165 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -21.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 241 Temperature: 0.950000 Total energy: -203.248874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.248874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.248874 (E_RNA) where: Base-Base interactions energy: -136.632 where: short stacking energy: -62.803 Base-Backbone interact. energy: -0.239 local terms energy: -66.378273 where: bonds (distance) C4'-P energy: -13.248 bonds (distance) P-C4' energy: -11.212 flat angles C4'-P-C4' energy: -11.774 flat angles P-C4'-P energy: -10.692 tors. eta vs tors. theta energy: -19.452 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 241 Temperature: 1.000000 Total energy: -185.803970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.803970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.803970 (E_RNA) where: Base-Base interactions energy: -124.563 where: short stacking energy: -55.122 Base-Backbone interact. energy: -0.874 local terms energy: -60.366724 where: bonds (distance) C4'-P energy: -10.358 bonds (distance) P-C4' energy: -12.032 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -9.718 tors. eta vs tors. theta energy: -14.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 241 Temperature: 1.050000 Total energy: -175.334667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.334667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.334667 (E_RNA) where: Base-Base interactions energy: -115.572 where: short stacking energy: -57.564 Base-Backbone interact. energy: -0.011 local terms energy: -59.751534 where: bonds (distance) C4'-P energy: -10.722 bonds (distance) P-C4' energy: -11.323 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -11.934 tors. eta vs tors. theta energy: -14.650 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 241 Temperature: 1.100000 Total energy: -192.323231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.323231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.323231 (E_RNA) where: Base-Base interactions energy: -126.567 where: short stacking energy: -59.683 Base-Backbone interact. energy: -0.003 local terms energy: -65.752975 where: bonds (distance) C4'-P energy: -9.618 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -16.470 flat angles P-C4'-P energy: -5.709 tors. eta vs tors. theta energy: -19.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 241 Temperature: 1.150000 Total energy: -96.850263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.850263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.850263 (E_RNA) where: Base-Base interactions energy: -44.278 where: short stacking energy: -41.895 Base-Backbone interact. energy: -0.000 local terms energy: -52.572084 where: bonds (distance) C4'-P energy: -14.109 bonds (distance) P-C4' energy: -14.089 flat angles C4'-P-C4' energy: -11.399 flat angles P-C4'-P energy: -4.705 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: 7, replica: 2 ===================================== Write number: 241 Temperature: 1.200000 Total energy: -106.869934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -106.869934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -106.869934 (E_RNA) where: Base-Base interactions energy: -65.401 where: short stacking energy: -34.503 Base-Backbone interact. energy: -0.364 local terms energy: -41.104632 where: bonds (distance) C4'-P energy: -8.947 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -8.801 flat angles P-C4'-P energy: -4.299 tors. eta vs tors. theta energy: -6.948 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: 241 Temperature: 1.250000 Total energy: -73.580455 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.580455 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.580455 (E_RNA) where: Base-Base interactions energy: -27.500 where: short stacking energy: -27.500 Base-Backbone interact. energy: -0.095 local terms energy: -45.985078 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -17.134 flat angles C4'-P-C4' energy: -10.498 flat angles P-C4'-P energy: -2.425 tors. eta vs tors. theta energy: -2.241 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 241 Temperature: 1.300000 Total energy: -72.094631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.094631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.094631 (E_RNA) where: Base-Base interactions energy: -25.215 where: short stacking energy: -25.215 Base-Backbone interact. energy: -0.398 local terms energy: -46.481613 where: bonds (distance) C4'-P energy: -11.898 bonds (distance) P-C4' energy: -14.537 flat angles C4'-P-C4' energy: -11.083 flat angles P-C4'-P energy: -7.771 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: 10 ===================================== Write number: 241 Temperature: 1.350000 Total energy: -75.956454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.956454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.956454 (E_RNA) where: Base-Base interactions energy: -35.732 where: short stacking energy: -18.392 Base-Backbone interact. energy: -0.329 local terms energy: -39.895758 where: bonds (distance) C4'-P energy: -11.265 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -9.361 flat angles P-C4'-P energy: -5.961 tors. eta vs tors. theta energy: 0.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 242 Temperature: 0.900000 Total energy: -210.679153 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.679153 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.679153 (E_RNA) where: Base-Base interactions energy: -139.805 where: short stacking energy: -64.437 Base-Backbone interact. energy: -0.001 local terms energy: -70.872686 where: bonds (distance) C4'-P energy: -14.407 bonds (distance) P-C4' energy: -11.587 flat angles C4'-P-C4' energy: -14.744 flat angles P-C4'-P energy: -9.107 tors. eta vs tors. theta energy: -21.027 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 242 Temperature: 0.950000 Total energy: -210.389253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.389253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.389253 (E_RNA) where: Base-Base interactions energy: -137.349 where: short stacking energy: -69.520 Base-Backbone interact. energy: -0.002 local terms energy: -73.038069 where: bonds (distance) C4'-P energy: -10.942 bonds (distance) P-C4' energy: -16.086 flat angles C4'-P-C4' energy: -14.777 flat angles P-C4'-P energy: -10.558 tors. eta vs tors. theta energy: -20.675 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: 3 ===================================== Write number: 242 Temperature: 1.000000 Total energy: -184.153218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.153218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.153218 (E_RNA) where: Base-Base interactions energy: -120.103 where: short stacking energy: -52.606 Base-Backbone interact. energy: -0.110 local terms energy: -63.940163 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -11.683 flat angles P-C4'-P energy: -7.900 tors. eta vs tors. theta energy: -16.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 242 Temperature: 1.050000 Total energy: -169.539315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.539315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.539315 (E_RNA) where: Base-Base interactions energy: -106.580 where: short stacking energy: -52.369 Base-Backbone interact. energy: -0.489 local terms energy: -62.469929 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -13.446 flat angles C4'-P-C4' energy: -15.438 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -13.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 242 Temperature: 1.100000 Total energy: -170.734901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.734901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.734901 (E_RNA) where: Base-Base interactions energy: -103.652 where: short stacking energy: -46.257 Base-Backbone interact. energy: -0.084 local terms energy: -66.999003 where: bonds (distance) C4'-P energy: -16.514 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -14.939 flat angles P-C4'-P energy: -9.867 tors. eta vs tors. theta energy: -12.305 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: 5 ===================================== Write number: 242 Temperature: 1.150000 Total energy: -100.392761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.392761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.392761 (E_RNA) where: Base-Base interactions energy: -54.607 where: short stacking energy: -33.127 Base-Backbone interact. energy: -0.141 local terms energy: -45.644945 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -12.103 flat angles C4'-P-C4' energy: -5.974 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -4.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 242 Temperature: 1.200000 Total energy: -86.899329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.899329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.899329 (E_RNA) where: Base-Base interactions energy: -38.627 where: short stacking energy: -38.461 Base-Backbone interact. energy: -0.297 local terms energy: -47.974985 where: bonds (distance) C4'-P energy: -16.105 bonds (distance) P-C4' energy: -6.128 flat angles C4'-P-C4' energy: -10.738 flat angles P-C4'-P energy: -7.493 tors. eta vs tors. theta energy: -7.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 242 Temperature: 1.250000 Total energy: -81.671720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.671720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.671720 (E_RNA) where: Base-Base interactions energy: -35.571 where: short stacking energy: -25.862 Base-Backbone interact. energy: 0.729 local terms energy: -46.830488 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -10.544 flat angles C4'-P-C4' energy: -11.281 flat angles P-C4'-P energy: -5.332 tors. eta vs tors. theta energy: -5.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 242 Temperature: 1.300000 Total energy: -132.834787 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -132.834787 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -132.834787 (E_RNA) where: Base-Base interactions energy: -74.979 where: short stacking energy: -39.264 Base-Backbone interact. energy: -0.222 local terms energy: -57.633526 where: bonds (distance) C4'-P energy: -11.372 bonds (distance) P-C4' energy: -14.684 flat angles C4'-P-C4' energy: -16.024 flat angles P-C4'-P energy: -2.946 tors. eta vs tors. theta energy: -12.607 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: 10, replica: 8 ===================================== Write number: 242 Temperature: 1.350000 Total energy: -71.090070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.090070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.090070 (E_RNA) where: Base-Base interactions energy: -25.428 where: short stacking energy: -25.428 Base-Backbone interact. energy: -0.177 local terms energy: -45.485233 where: bonds (distance) C4'-P energy: -9.907 bonds (distance) P-C4' energy: -12.548 flat angles C4'-P-C4' energy: -9.773 flat angles P-C4'-P energy: -9.351 tors. eta vs tors. theta energy: -3.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 243 Temperature: 0.900000 Total energy: -210.391563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.391563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.391563 (E_RNA) where: Base-Base interactions energy: -138.828 where: short stacking energy: -67.487 Base-Backbone interact. energy: -0.415 local terms energy: -71.149280 where: bonds (distance) C4'-P energy: -16.444 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -10.931 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -18.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 243 Temperature: 0.950000 Total energy: -202.808335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.808335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.808335 (E_RNA) where: Base-Base interactions energy: -136.166 where: short stacking energy: -64.576 Base-Backbone interact. energy: -0.001 local terms energy: -66.641306 where: bonds (distance) C4'-P energy: -11.915 bonds (distance) P-C4' energy: -14.895 flat angles C4'-P-C4' energy: -13.218 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -16.686 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 243 Temperature: 1.000000 Total energy: -174.767230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.767230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.767230 (E_RNA) where: Base-Base interactions energy: -107.203 where: short stacking energy: -51.078 Base-Backbone interact. energy: -0.006 local terms energy: -67.558648 where: bonds (distance) C4'-P energy: -13.551 bonds (distance) P-C4' energy: -15.190 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -15.549 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: 1 ===================================== Write number: 243 Temperature: 1.050000 Total energy: -189.192550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.192550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.192550 (E_RNA) where: Base-Base interactions energy: -117.391 where: short stacking energy: -62.106 Base-Backbone interact. energy: -0.001 local terms energy: -71.800885 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -11.714 flat angles C4'-P-C4' energy: -15.753 flat angles P-C4'-P energy: -9.600 tors. eta vs tors. theta energy: -20.405 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: 6 ===================================== Write number: 243 Temperature: 1.100000 Total energy: -180.750288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.750288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.750288 (E_RNA) where: Base-Base interactions energy: -123.513 where: short stacking energy: -54.237 Base-Backbone interact. energy: -0.638 local terms energy: -56.598962 where: bonds (distance) C4'-P energy: -15.340 bonds (distance) P-C4' energy: -11.798 flat angles C4'-P-C4' energy: -13.446 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -11.471 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: 7 ===================================== Write number: 243 Temperature: 1.150000 Total energy: -97.431683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.431683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.431683 (E_RNA) where: Base-Base interactions energy: -38.884 where: short stacking energy: -30.352 Base-Backbone interact. energy: -0.003 local terms energy: -58.544487 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -14.216 flat angles C4'-P-C4' energy: -11.906 flat angles P-C4'-P energy: -11.480 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: 7, replica: 5 ===================================== Write number: 243 Temperature: 1.200000 Total energy: -143.256034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -143.256034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -143.256034 (E_RNA) where: Base-Base interactions energy: -87.553 where: short stacking energy: -42.149 Base-Backbone interact. energy: -0.816 local terms energy: -54.887009 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -4.893 flat angles P-C4'-P energy: -11.259 tors. eta vs tors. theta energy: -13.978 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: 10 ===================================== Write number: 243 Temperature: 1.250000 Total energy: -117.691345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.691345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.691345 (E_RNA) where: Base-Base interactions energy: -63.833 where: short stacking energy: -33.604 Base-Backbone interact. energy: -0.061 local terms energy: -53.796726 where: bonds (distance) C4'-P energy: -10.442 bonds (distance) P-C4' energy: -13.177 flat angles C4'-P-C4' energy: -10.247 flat angles P-C4'-P energy: -5.939 tors. eta vs tors. theta energy: -13.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 243 Temperature: 1.300000 Total energy: -82.700905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.700905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.700905 (E_RNA) where: Base-Base interactions energy: -36.635 where: short stacking energy: -36.635 Base-Backbone interact. energy: 1.443 local terms energy: -47.509055 where: bonds (distance) C4'-P energy: -11.186 bonds (distance) P-C4' energy: -10.921 flat angles C4'-P-C4' energy: -14.526 flat angles P-C4'-P energy: -4.383 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 243 Temperature: 1.350000 Total energy: -71.644037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.644037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.644037 (E_RNA) where: Base-Base interactions energy: -31.225 where: short stacking energy: -18.860 Base-Backbone interact. energy: -0.466 local terms energy: -39.952913 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -11.160 flat angles C4'-P-C4' energy: -11.282 flat angles P-C4'-P energy: -3.668 tors. eta vs tors. theta energy: -1.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 244 Temperature: 0.900000 Total energy: -213.142544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.142544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.142544 (E_RNA) where: Base-Base interactions energy: -142.957 where: short stacking energy: -67.147 Base-Backbone interact. energy: -0.095 local terms energy: -70.091102 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -13.242 flat angles P-C4'-P energy: -11.043 tors. eta vs tors. theta energy: -18.607 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: 9 ===================================== Write number: 244 Temperature: 0.950000 Total energy: -209.134967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.134967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.134967 (E_RNA) where: Base-Base interactions energy: -139.915 where: short stacking energy: -69.928 Base-Backbone interact. energy: -0.001 local terms energy: -69.218926 where: bonds (distance) C4'-P energy: -10.039 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -15.536 flat angles P-C4'-P energy: -8.649 tors. eta vs tors. theta energy: -22.403 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 244 Temperature: 1.000000 Total energy: -188.405790 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.405790 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.405790 (E_RNA) where: Base-Base interactions energy: -118.580 where: short stacking energy: -55.559 Base-Backbone interact. energy: -0.401 local terms energy: -69.424715 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -15.037 flat angles C4'-P-C4' energy: -14.405 flat angles P-C4'-P energy: -9.674 tors. eta vs tors. theta energy: -16.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 244 Temperature: 1.050000 Total energy: -174.508392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.508392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.508392 (E_RNA) where: Base-Base interactions energy: -118.809 where: short stacking energy: -52.089 Base-Backbone interact. energy: -0.163 local terms energy: -55.537152 where: bonds (distance) C4'-P energy: -8.181 bonds (distance) P-C4' energy: -13.394 flat angles C4'-P-C4' energy: -12.573 flat angles P-C4'-P energy: -8.378 tors. eta vs tors. theta energy: -13.012 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: 6 ===================================== Write number: 244 Temperature: 1.100000 Total energy: -184.297612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.297612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.297612 (E_RNA) where: Base-Base interactions energy: -114.863 where: short stacking energy: -53.835 Base-Backbone interact. energy: -0.003 local terms energy: -69.431190 where: bonds (distance) C4'-P energy: -13.697 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -14.770 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -18.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 244 Temperature: 1.150000 Total energy: -95.447691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.447691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.447691 (E_RNA) where: Base-Base interactions energy: -44.348 where: short stacking energy: -40.606 Base-Backbone interact. energy: -0.062 local terms energy: -51.037523 where: bonds (distance) C4'-P energy: -8.676 bonds (distance) P-C4' energy: -10.547 flat angles C4'-P-C4' energy: -12.016 flat angles P-C4'-P energy: -10.135 tors. eta vs tors. theta energy: -9.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 244 Temperature: 1.200000 Total energy: -126.421534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -126.421534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -126.421534 (E_RNA) where: Base-Base interactions energy: -70.974 where: short stacking energy: -37.189 Base-Backbone interact. energy: 0.736 local terms energy: -56.183575 where: bonds (distance) C4'-P energy: -13.359 bonds (distance) P-C4' energy: -13.271 flat angles C4'-P-C4' energy: -15.332 flat angles P-C4'-P energy: -1.856 tors. eta vs tors. theta energy: -12.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 244 Temperature: 1.250000 Total energy: -94.274028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.274028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.274028 (E_RNA) where: Base-Base interactions energy: -56.211 where: short stacking energy: -30.541 Base-Backbone interact. energy: 1.015 local terms energy: -39.077470 where: bonds (distance) C4'-P energy: -8.107 bonds (distance) P-C4' energy: -7.935 flat angles C4'-P-C4' energy: -10.535 flat angles P-C4'-P energy: -5.296 tors. eta vs tors. theta energy: -7.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 244 Temperature: 1.300000 Total energy: -80.037538 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.037538 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.037538 (E_RNA) where: Base-Base interactions energy: -41.087 where: short stacking energy: -29.290 Base-Backbone interact. energy: 0.034 local terms energy: -38.983567 where: bonds (distance) C4'-P energy: -12.171 bonds (distance) P-C4' energy: -10.935 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -4.165 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: 2 ===================================== Write number: 244 Temperature: 1.350000 Total energy: -91.275385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.275385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.275385 (E_RNA) where: Base-Base interactions energy: -49.607 where: short stacking energy: -24.564 Base-Backbone interact. energy: -0.150 local terms energy: -41.518286 where: bonds (distance) C4'-P energy: -9.587 bonds (distance) P-C4' energy: -16.542 flat angles C4'-P-C4' energy: -10.150 flat angles P-C4'-P energy: -5.617 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: 1, replica: 4 ===================================== Write number: 245 Temperature: 0.900000 Total energy: -211.559643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.559643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.559643 (E_RNA) where: Base-Base interactions energy: -138.621 where: short stacking energy: -71.960 Base-Backbone interact. energy: -0.032 local terms energy: -72.907140 where: bonds (distance) C4'-P energy: -11.637 bonds (distance) P-C4' energy: -13.361 flat angles C4'-P-C4' energy: -15.685 flat angles P-C4'-P energy: -11.247 tors. eta vs tors. theta energy: -20.977 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: 9 ===================================== Write number: 245 Temperature: 0.950000 Total energy: -205.691773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.691773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.691773 (E_RNA) where: Base-Base interactions energy: -138.546 where: short stacking energy: -67.957 Base-Backbone interact. energy: -0.000 local terms energy: -67.144845 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -14.086 flat angles C4'-P-C4' energy: -11.489 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -20.751 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 245 Temperature: 1.000000 Total energy: -172.466784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.466784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.466784 (E_RNA) where: Base-Base interactions energy: -107.302 where: short stacking energy: -47.979 Base-Backbone interact. energy: -0.213 local terms energy: -64.951562 where: bonds (distance) C4'-P energy: -11.659 bonds (distance) P-C4' energy: -13.624 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -11.081 tors. eta vs tors. theta energy: -13.376 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 245 Temperature: 1.050000 Total energy: -181.337502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.337502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.337502 (E_RNA) where: Base-Base interactions energy: -113.280 where: short stacking energy: -54.436 Base-Backbone interact. energy: -0.206 local terms energy: -67.851512 where: bonds (distance) C4'-P energy: -15.165 bonds (distance) P-C4' energy: -11.969 flat angles C4'-P-C4' energy: -14.783 flat angles P-C4'-P energy: -8.611 tors. eta vs tors. theta energy: -17.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 245 Temperature: 1.100000 Total energy: -180.706514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.706514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.706514 (E_RNA) where: Base-Base interactions energy: -115.366 where: short stacking energy: -51.649 Base-Backbone interact. energy: -0.004 local terms energy: -65.336660 where: bonds (distance) C4'-P energy: -8.036 bonds (distance) P-C4' energy: -15.033 flat angles C4'-P-C4' energy: -12.623 flat angles P-C4'-P energy: -10.040 tors. eta vs tors. theta energy: -19.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 245 Temperature: 1.150000 Total energy: -91.326739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.326739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.326739 (E_RNA) where: Base-Base interactions energy: -37.023 where: short stacking energy: -37.023 Base-Backbone interact. energy: -0.074 local terms energy: -54.229642 where: bonds (distance) C4'-P energy: -11.831 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -6.109 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: 7, replica: 5 ===================================== Write number: 245 Temperature: 1.200000 Total energy: -83.272653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.272653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.272653 (E_RNA) where: Base-Base interactions energy: -33.561 where: short stacking energy: -20.730 Base-Backbone interact. energy: -0.148 local terms energy: -49.563809 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -13.360 flat angles C4'-P-C4' energy: -15.504 flat angles P-C4'-P energy: -7.127 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: 8, replica: 8 ===================================== Write number: 245 Temperature: 1.250000 Total energy: -75.100830 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.100830 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.100830 (E_RNA) where: Base-Base interactions energy: -30.470 where: short stacking energy: -17.501 Base-Backbone interact. energy: -0.105 local terms energy: -44.525750 where: bonds (distance) C4'-P energy: -13.608 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -6.611 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: 9, replica: 10 ===================================== Write number: 245 Temperature: 1.300000 Total energy: -81.066837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.066837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.066837 (E_RNA) where: Base-Base interactions energy: -33.571 where: short stacking energy: -34.042 Base-Backbone interact. energy: 0.207 local terms energy: -47.703250 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -12.866 flat angles P-C4'-P energy: -2.531 tors. eta vs tors. theta energy: -2.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 245 Temperature: 1.350000 Total energy: -76.803545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.803545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.803545 (E_RNA) where: Base-Base interactions energy: -34.717 where: short stacking energy: -33.265 Base-Backbone interact. energy: 3.528 local terms energy: -45.614135 where: bonds (distance) C4'-P energy: -12.598 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -11.125 flat angles P-C4'-P energy: -5.867 tors. eta vs tors. theta energy: -3.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 246 Temperature: 0.900000 Total energy: -210.919421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.919421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.919421 (E_RNA) where: Base-Base interactions energy: -142.843 where: short stacking energy: -63.870 Base-Backbone interact. energy: -0.026 local terms energy: -68.049953 where: bonds (distance) C4'-P energy: -11.744 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -14.692 flat angles P-C4'-P energy: -7.920 tors. eta vs tors. theta energy: -19.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 246 Temperature: 0.950000 Total energy: -204.471333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.471333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.471333 (E_RNA) where: Base-Base interactions energy: -130.959 where: short stacking energy: -66.899 Base-Backbone interact. energy: -0.240 local terms energy: -73.272726 where: bonds (distance) C4'-P energy: -12.071 bonds (distance) P-C4' energy: -14.462 flat angles C4'-P-C4' energy: -15.778 flat angles P-C4'-P energy: -12.146 tors. eta vs tors. theta energy: -18.816 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: 3, replica: 6 ===================================== Write number: 246 Temperature: 1.000000 Total energy: -176.632834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.632834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.632834 (E_RNA) where: Base-Base interactions energy: -110.419 where: short stacking energy: -53.369 Base-Backbone interact. energy: -0.288 local terms energy: -65.925857 where: bonds (distance) C4'-P energy: -15.038 bonds (distance) P-C4' energy: -12.114 flat angles C4'-P-C4' energy: -14.372 flat angles P-C4'-P energy: -8.150 tors. eta vs tors. theta energy: -16.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 246 Temperature: 1.050000 Total energy: -190.998862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.998862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.998862 (E_RNA) where: Base-Base interactions energy: -127.255 where: short stacking energy: -63.366 Base-Backbone interact. energy: -0.264 local terms energy: -63.480089 where: bonds (distance) C4'-P energy: -11.212 bonds (distance) P-C4' energy: -13.567 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -9.889 tors. eta vs tors. theta energy: -16.228 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: 246 Temperature: 1.100000 Total energy: -171.702334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.702334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.702334 (E_RNA) where: Base-Base interactions energy: -106.966 where: short stacking energy: -49.029 Base-Backbone interact. energy: 1.374 local terms energy: -66.110501 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -15.932 flat angles C4'-P-C4' energy: -12.257 flat angles P-C4'-P energy: -10.020 tors. eta vs tors. theta energy: -15.311 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 246 Temperature: 1.150000 Total energy: -92.608278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.608278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.608278 (E_RNA) where: Base-Base interactions energy: -42.863 where: short stacking energy: -42.863 Base-Backbone interact. energy: 0.806 local terms energy: -50.550740 where: bonds (distance) C4'-P energy: -12.123 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -12.056 flat angles P-C4'-P energy: -4.836 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: 7, replica: 8 ===================================== Write number: 246 Temperature: 1.200000 Total energy: -84.713968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.713968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.713968 (E_RNA) where: Base-Base interactions energy: -34.385 where: short stacking energy: -27.751 Base-Backbone interact. energy: -0.152 local terms energy: -50.176826 where: bonds (distance) C4'-P energy: -8.460 bonds (distance) P-C4' energy: -16.658 flat angles C4'-P-C4' energy: -13.272 flat angles P-C4'-P energy: -7.216 tors. eta vs tors. theta energy: -4.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 246 Temperature: 1.250000 Total energy: -95.472492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.472492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.472492 (E_RNA) where: Base-Base interactions energy: -39.092 where: short stacking energy: -39.092 Base-Backbone interact. energy: -0.083 local terms energy: -56.296887 where: bonds (distance) C4'-P energy: -14.021 bonds (distance) P-C4' energy: -14.252 flat angles C4'-P-C4' energy: -14.186 flat angles P-C4'-P energy: -8.478 tors. eta vs tors. theta energy: -5.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 246 Temperature: 1.300000 Total energy: -71.452823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.452823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.452823 (E_RNA) where: Base-Base interactions energy: -33.153 where: short stacking energy: -15.423 Base-Backbone interact. energy: -0.291 local terms energy: -38.008468 where: bonds (distance) C4'-P energy: -11.663 bonds (distance) P-C4' energy: -13.416 flat angles C4'-P-C4' energy: -7.276 flat angles P-C4'-P energy: -7.181 tors. eta vs tors. theta energy: 1.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 246 Temperature: 1.350000 Total energy: -64.176502 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.176502 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.176502 (E_RNA) where: Base-Base interactions energy: -24.825 where: short stacking energy: -20.382 Base-Backbone interact. energy: -0.462 local terms energy: -38.889133 where: bonds (distance) C4'-P energy: -14.656 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -7.399 flat angles P-C4'-P energy: -5.898 tors. eta vs tors. theta energy: 0.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 247 Temperature: 0.900000 Total energy: -210.893466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.893466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.893466 (E_RNA) where: Base-Base interactions energy: -141.729 where: short stacking energy: -69.025 Base-Backbone interact. energy: -0.002 local terms energy: -69.162308 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -14.113 flat angles C4'-P-C4' energy: -14.691 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -17.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 247 Temperature: 0.950000 Total energy: -206.085894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.085894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.085894 (E_RNA) where: Base-Base interactions energy: -130.122 where: short stacking energy: -66.992 Base-Backbone interact. energy: -0.000 local terms energy: -75.963942 where: bonds (distance) C4'-P energy: -14.159 bonds (distance) P-C4' energy: -14.976 flat angles C4'-P-C4' energy: -15.062 flat angles P-C4'-P energy: -11.275 tors. eta vs tors. theta energy: -20.491 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: 6 ===================================== Write number: 247 Temperature: 1.000000 Total energy: -184.903293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.903293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.903293 (E_RNA) where: Base-Base interactions energy: -122.200 where: short stacking energy: -56.457 Base-Backbone interact. energy: -0.032 local terms energy: -62.671375 where: bonds (distance) C4'-P energy: -10.259 bonds (distance) P-C4' energy: -13.627 flat angles C4'-P-C4' energy: -14.940 flat angles P-C4'-P energy: -7.060 tors. eta vs tors. theta energy: -16.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 247 Temperature: 1.050000 Total energy: -173.631462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.631462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.631462 (E_RNA) where: Base-Base interactions energy: -109.561 where: short stacking energy: -48.292 Base-Backbone interact. energy: -0.279 local terms energy: -63.791938 where: bonds (distance) C4'-P energy: -14.312 bonds (distance) P-C4' energy: -11.388 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -10.700 tors. eta vs tors. theta energy: -13.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 247 Temperature: 1.100000 Total energy: -165.188142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.188142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.188142 (E_RNA) where: Base-Base interactions energy: -104.451 where: short stacking energy: -50.254 Base-Backbone interact. energy: -0.026 local terms energy: -60.710599 where: bonds (distance) C4'-P energy: -13.062 bonds (distance) P-C4' energy: -15.613 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -6.520 tors. eta vs tors. theta energy: -13.103 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: 8 ===================================== Write number: 247 Temperature: 1.150000 Total energy: -87.169632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.169632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.169632 (E_RNA) where: Base-Base interactions energy: -33.874 where: short stacking energy: -33.662 Base-Backbone interact. energy: -0.163 local terms energy: -53.133116 where: bonds (distance) C4'-P energy: -11.306 bonds (distance) P-C4' energy: -11.240 flat angles C4'-P-C4' energy: -15.387 flat angles P-C4'-P energy: -8.358 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: 7, replica: 7 ===================================== Write number: 247 Temperature: 1.200000 Total energy: -82.811255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.811255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.811255 (E_RNA) where: Base-Base interactions energy: -36.078 where: short stacking energy: -29.095 Base-Backbone interact. energy: -0.026 local terms energy: -46.707019 where: bonds (distance) C4'-P energy: -12.105 bonds (distance) P-C4' energy: -10.957 flat angles C4'-P-C4' energy: -5.311 flat angles P-C4'-P energy: -7.658 tors. eta vs tors. theta energy: -10.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 247 Temperature: 1.250000 Total energy: -78.632485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.632485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.632485 (E_RNA) where: Base-Base interactions energy: -30.425 where: short stacking energy: -27.545 Base-Backbone interact. energy: -0.026 local terms energy: -48.182011 where: bonds (distance) C4'-P energy: -11.796 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -11.793 flat angles P-C4'-P energy: -5.533 tors. eta vs tors. theta energy: -5.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 247 Temperature: 1.300000 Total energy: -77.826857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.826857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.826857 (E_RNA) where: Base-Base interactions energy: -34.437 where: short stacking energy: -20.762 Base-Backbone interact. energy: -0.312 local terms energy: -43.078207 where: bonds (distance) C4'-P energy: -11.398 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -10.289 flat angles P-C4'-P energy: -6.871 tors. eta vs tors. theta energy: 0.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 247 Temperature: 1.350000 Total energy: -82.204683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.204683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.204683 (E_RNA) where: Base-Base interactions energy: -43.800 where: short stacking energy: -36.874 Base-Backbone interact. energy: 0.260 local terms energy: -38.664428 where: bonds (distance) C4'-P energy: -10.321 bonds (distance) P-C4' energy: -7.546 flat angles C4'-P-C4' energy: -12.160 flat angles P-C4'-P energy: -2.670 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: 1, replica: 9 ===================================== Write number: 248 Temperature: 0.900000 Total energy: -207.094275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.094275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.094275 (E_RNA) where: Base-Base interactions energy: -135.257 where: short stacking energy: -63.894 Base-Backbone interact. energy: -0.001 local terms energy: -71.836649 where: bonds (distance) C4'-P energy: -14.843 bonds (distance) P-C4' energy: -13.000 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -8.866 tors. eta vs tors. theta energy: -19.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 248 Temperature: 0.950000 Total energy: -203.496845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.496845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.496845 (E_RNA) where: Base-Base interactions energy: -136.187 where: short stacking energy: -50.914 Base-Backbone interact. energy: 0.398 local terms energy: -67.707684 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -16.408 flat angles P-C4'-P energy: -8.650 tors. eta vs tors. theta energy: -13.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 248 Temperature: 1.000000 Total energy: -179.319810 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.319810 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.319810 (E_RNA) where: Base-Base interactions energy: -111.314 where: short stacking energy: -49.152 Base-Backbone interact. energy: -0.146 local terms energy: -67.859742 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -14.335 flat angles C4'-P-C4' energy: -12.904 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -16.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 248 Temperature: 1.050000 Total energy: -173.126697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.126697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.126697 (E_RNA) where: Base-Base interactions energy: -121.047 where: short stacking energy: -55.153 Base-Backbone interact. energy: -0.117 local terms energy: -51.962739 where: bonds (distance) C4'-P energy: -8.478 bonds (distance) P-C4' energy: -10.958 flat angles C4'-P-C4' energy: -15.208 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: -9.869 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: 1 ===================================== Write number: 248 Temperature: 1.100000 Total energy: -172.516141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.516141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.516141 (E_RNA) where: Base-Base interactions energy: -112.921 where: short stacking energy: -44.984 Base-Backbone interact. energy: -0.014 local terms energy: -59.581469 where: bonds (distance) C4'-P energy: -13.133 bonds (distance) P-C4' energy: -9.479 flat angles C4'-P-C4' energy: -15.421 flat angles P-C4'-P energy: -7.038 tors. eta vs tors. theta energy: -14.511 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: 6, replica: 8 ===================================== Write number: 248 Temperature: 1.150000 Total energy: -92.767583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.767583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.767583 (E_RNA) where: Base-Base interactions energy: -49.360 where: short stacking energy: -31.211 Base-Backbone interact. energy: -0.353 local terms energy: -43.054820 where: bonds (distance) C4'-P energy: -8.505 bonds (distance) P-C4' energy: -12.551 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -11.498 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: 7, replica: 10 ===================================== Write number: 248 Temperature: 1.200000 Total energy: -71.934892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.934892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.934892 (E_RNA) where: Base-Base interactions energy: -25.603 where: short stacking energy: -25.603 Base-Backbone interact. energy: 0.782 local terms energy: -47.114551 where: bonds (distance) C4'-P energy: -13.079 bonds (distance) P-C4' energy: -11.671 flat angles C4'-P-C4' energy: -9.887 flat angles P-C4'-P energy: -12.662 tors. eta vs tors. theta energy: 0.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 248 Temperature: 1.250000 Total energy: -75.009919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.009919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.009919 (E_RNA) where: Base-Base interactions energy: -21.958 where: short stacking energy: -21.958 Base-Backbone interact. energy: -0.415 local terms energy: -52.636604 where: bonds (distance) C4'-P energy: -15.127 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -6.811 tors. eta vs tors. theta energy: -1.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 248 Temperature: 1.300000 Total energy: -78.402974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.402974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.402974 (E_RNA) where: Base-Base interactions energy: -29.380 where: short stacking energy: -28.208 Base-Backbone interact. energy: -0.038 local terms energy: -48.984611 where: bonds (distance) C4'-P energy: -11.294 bonds (distance) P-C4' energy: -13.407 flat angles C4'-P-C4' energy: -12.167 flat angles P-C4'-P energy: -7.172 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: 10, replica: 2 ===================================== Write number: 248 Temperature: 1.350000 Total energy: -80.388843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.388843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.388843 (E_RNA) where: Base-Base interactions energy: -39.323 where: short stacking energy: -27.505 Base-Backbone interact. energy: -0.114 local terms energy: -40.951542 where: bonds (distance) C4'-P energy: -9.211 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -12.394 flat angles P-C4'-P energy: -0.364 tors. eta vs tors. theta energy: -3.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 249 Temperature: 0.900000 Total energy: -210.287751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.287751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.287751 (E_RNA) where: Base-Base interactions energy: -144.637 where: short stacking energy: -64.888 Base-Backbone interact. energy: -0.002 local terms energy: -65.649029 where: bonds (distance) C4'-P energy: -14.685 bonds (distance) P-C4' energy: -13.938 flat angles C4'-P-C4' energy: -10.914 flat angles P-C4'-P energy: -8.056 tors. eta vs tors. theta energy: -18.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 249 Temperature: 0.950000 Total energy: -181.651025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.651025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.651025 (E_RNA) where: Base-Base interactions energy: -115.227 where: short stacking energy: -56.664 Base-Backbone interact. energy: -0.092 local terms energy: -66.332296 where: bonds (distance) C4'-P energy: -14.631 bonds (distance) P-C4' energy: -10.909 flat angles C4'-P-C4' energy: -16.035 flat angles P-C4'-P energy: -6.549 tors. eta vs tors. theta energy: -18.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 249 Temperature: 1.000000 Total energy: -204.199805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.199805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.199805 (E_RNA) where: Base-Base interactions energy: -133.678 where: short stacking energy: -62.112 Base-Backbone interact. energy: -0.033 local terms energy: -70.488743 where: bonds (distance) C4'-P energy: -16.151 bonds (distance) P-C4' energy: -12.810 flat angles C4'-P-C4' energy: -13.649 flat angles P-C4'-P energy: -11.510 tors. eta vs tors. theta energy: -16.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 249 Temperature: 1.050000 Total energy: -181.551366 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.551366 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.551366 (E_RNA) where: Base-Base interactions energy: -115.308 where: short stacking energy: -60.010 Base-Backbone interact. energy: -0.022 local terms energy: -66.221450 where: bonds (distance) C4'-P energy: -11.880 bonds (distance) P-C4' energy: -8.942 flat angles C4'-P-C4' energy: -14.635 flat angles P-C4'-P energy: -12.159 tors. eta vs tors. theta energy: -18.606 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: 6 ===================================== Write number: 249 Temperature: 1.100000 Total energy: -180.915562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.915562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.915562 (E_RNA) where: Base-Base interactions energy: -117.649 where: short stacking energy: -53.831 Base-Backbone interact. energy: -0.657 local terms energy: -62.609271 where: bonds (distance) C4'-P energy: -15.617 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -13.756 flat angles P-C4'-P energy: -2.910 tors. eta vs tors. theta energy: -15.639 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: 6, replica: 10 ===================================== Write number: 249 Temperature: 1.150000 Total energy: -86.846491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.846491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.846491 (E_RNA) where: Base-Base interactions energy: -36.132 where: short stacking energy: -35.986 Base-Backbone interact. energy: -0.035 local terms energy: -50.680287 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -14.581 flat angles P-C4'-P energy: -5.769 tors. eta vs tors. theta energy: -4.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 249 Temperature: 1.200000 Total energy: -119.706771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -119.706771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -119.706771 (E_RNA) where: Base-Base interactions energy: -61.530 where: short stacking energy: -39.260 Base-Backbone interact. energy: -0.528 local terms energy: -57.648913 where: bonds (distance) C4'-P energy: -12.969 bonds (distance) P-C4' energy: -12.920 flat angles C4'-P-C4' energy: -11.732 flat angles P-C4'-P energy: -7.906 tors. eta vs tors. theta energy: -12.121 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: 5 ===================================== Write number: 249 Temperature: 1.250000 Total energy: -80.372930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.372930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.372930 (E_RNA) where: Base-Base interactions energy: -32.133 where: short stacking energy: -22.789 Base-Backbone interact. energy: -0.185 local terms energy: -48.054888 where: bonds (distance) C4'-P energy: -13.388 bonds (distance) P-C4' energy: -13.753 flat angles C4'-P-C4' energy: -14.143 flat angles P-C4'-P energy: -7.388 tors. eta vs tors. theta energy: 0.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 249 Temperature: 1.300000 Total energy: -71.941533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.941533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.941533 (E_RNA) where: Base-Base interactions energy: -25.198 where: short stacking energy: -20.144 Base-Backbone interact. energy: 3.394 local terms energy: -50.137289 where: bonds (distance) C4'-P energy: -10.308 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -14.407 flat angles P-C4'-P energy: -7.653 tors. eta vs tors. theta energy: -3.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 249 Temperature: 1.350000 Total energy: -70.309215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.309215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.309215 (E_RNA) where: Base-Base interactions energy: -29.396 where: short stacking energy: -28.418 Base-Backbone interact. energy: -0.485 local terms energy: -40.429002 where: bonds (distance) C4'-P energy: -12.243 bonds (distance) P-C4' energy: -11.439 flat angles C4'-P-C4' energy: -12.246 flat angles P-C4'-P energy: -6.097 tors. eta vs tors. theta energy: 1.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 250 Temperature: 0.900000 Total energy: -203.223022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.223022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.223022 (E_RNA) where: Base-Base interactions energy: -133.789 where: short stacking energy: -68.069 Base-Backbone interact. energy: -0.012 local terms energy: -69.421630 where: bonds (distance) C4'-P energy: -15.501 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -12.727 flat angles P-C4'-P energy: -6.741 tors. eta vs tors. theta energy: -18.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 250 Temperature: 0.950000 Total energy: -192.025935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.025935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.025935 (E_RNA) where: Base-Base interactions energy: -118.914 where: short stacking energy: -61.200 Base-Backbone interact. energy: -0.218 local terms energy: -72.893412 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -13.613 flat angles P-C4'-P energy: -10.994 tors. eta vs tors. theta energy: -18.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 250 Temperature: 1.000000 Total energy: -191.145426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.145426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.145426 (E_RNA) where: Base-Base interactions energy: -124.321 where: short stacking energy: -57.043 Base-Backbone interact. energy: -0.089 local terms energy: -66.735997 where: bonds (distance) C4'-P energy: -12.263 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -11.227 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -16.587 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 250 Temperature: 1.050000 Total energy: -198.281610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.281610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.281610 (E_RNA) where: Base-Base interactions energy: -130.839 where: short stacking energy: -58.357 Base-Backbone interact. energy: -0.090 local terms energy: -67.352330 where: bonds (distance) C4'-P energy: -12.221 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -12.477 flat angles P-C4'-P energy: -9.963 tors. eta vs tors. theta energy: -17.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 250 Temperature: 1.100000 Total energy: -184.016408 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.016408 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.016408 (E_RNA) where: Base-Base interactions energy: -118.757 where: short stacking energy: -62.092 Base-Backbone interact. energy: -0.052 local terms energy: -65.206895 where: bonds (distance) C4'-P energy: -9.881 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -14.509 flat angles P-C4'-P energy: -10.068 tors. eta vs tors. theta energy: -17.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 250 Temperature: 1.150000 Total energy: -82.587743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.587743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.587743 (E_RNA) where: Base-Base interactions energy: -24.088 where: short stacking energy: -24.088 Base-Backbone interact. energy: -0.045 local terms energy: -58.455252 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -14.413 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -10.522 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: 7, replica: 5 ===================================== Write number: 250 Temperature: 1.200000 Total energy: -100.149835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.149835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.149835 (E_RNA) where: Base-Base interactions energy: -51.694 where: short stacking energy: -32.197 Base-Backbone interact. energy: -0.478 local terms energy: -47.978301 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -10.957 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: -4.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 250 Temperature: 1.250000 Total energy: -101.393495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -101.393495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -101.393495 (E_RNA) where: Base-Base interactions energy: -55.054 where: short stacking energy: -21.357 Base-Backbone interact. energy: 0.052 local terms energy: -46.391890 where: bonds (distance) C4'-P energy: -13.261 bonds (distance) P-C4' energy: -12.715 flat angles C4'-P-C4' energy: -10.486 flat angles P-C4'-P energy: -8.617 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: 250 Temperature: 1.300000 Total energy: -107.909687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -107.909687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -107.909687 (E_RNA) where: Base-Base interactions energy: -59.194 where: short stacking energy: -35.533 Base-Backbone interact. energy: -0.146 local terms energy: -48.570064 where: bonds (distance) C4'-P energy: -9.667 bonds (distance) P-C4' energy: -13.360 flat angles C4'-P-C4' energy: -13.813 flat angles P-C4'-P energy: -3.399 tors. eta vs tors. theta energy: -8.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 250 Temperature: 1.350000 Total energy: -77.564245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.564245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.564245 (E_RNA) where: Base-Base interactions energy: -34.623 where: short stacking energy: -34.623 Base-Backbone interact. energy: -0.151 local terms energy: -42.790531 where: bonds (distance) C4'-P energy: -6.409 bonds (distance) P-C4' energy: -4.222 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -8.385 tors. eta vs tors. theta energy: -9.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 251 Temperature: 0.900000 Total energy: -207.301987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.301987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.301987 (E_RNA) where: Base-Base interactions energy: -139.141 where: short stacking energy: -70.465 Base-Backbone interact. energy: 0.222 local terms energy: -68.383224 where: bonds (distance) C4'-P energy: -15.108 bonds (distance) P-C4' energy: -9.160 flat angles C4'-P-C4' energy: -16.486 flat angles P-C4'-P energy: -10.140 tors. eta vs tors. theta energy: -17.489 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: 2, replica: 3 ===================================== Write number: 251 Temperature: 0.950000 Total energy: -192.734197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.734197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.734197 (E_RNA) where: Base-Base interactions energy: -125.576 where: short stacking energy: -63.081 Base-Backbone interact. energy: -0.068 local terms energy: -67.090189 where: bonds (distance) C4'-P energy: -14.780 bonds (distance) P-C4' energy: -12.199 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -8.088 tors. eta vs tors. theta energy: -18.185 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: 3, replica: 1 ===================================== Write number: 251 Temperature: 1.000000 Total energy: -186.324781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.324781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.324781 (E_RNA) where: Base-Base interactions energy: -117.187 where: short stacking energy: -66.760 Base-Backbone interact. energy: -0.242 local terms energy: -68.895440 where: bonds (distance) C4'-P energy: -11.869 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -10.166 tors. eta vs tors. theta energy: -16.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 251 Temperature: 1.050000 Total energy: -206.107014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.107014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.107014 (E_RNA) where: Base-Base interactions energy: -132.781 where: short stacking energy: -63.082 Base-Backbone interact. energy: -0.004 local terms energy: -73.321923 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -14.919 flat angles P-C4'-P energy: -11.653 tors. eta vs tors. theta energy: -18.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 251 Temperature: 1.100000 Total energy: -179.235741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.235741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.235741 (E_RNA) where: Base-Base interactions energy: -114.818 where: short stacking energy: -65.526 Base-Backbone interact. energy: -0.014 local terms energy: -64.404054 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -12.807 flat angles P-C4'-P energy: -9.117 tors. eta vs tors. theta energy: -16.627 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: 6, replica: 10 ===================================== Write number: 251 Temperature: 1.150000 Total energy: -90.189825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.189825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.189825 (E_RNA) where: Base-Base interactions energy: -39.051 where: short stacking energy: -38.881 Base-Backbone interact. energy: -0.179 local terms energy: -50.959779 where: bonds (distance) C4'-P energy: -10.657 bonds (distance) P-C4' energy: -16.129 flat angles C4'-P-C4' energy: -10.659 flat angles P-C4'-P energy: -6.028 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: 7, replica: 5 ===================================== Write number: 251 Temperature: 1.200000 Total energy: -96.347094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.347094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.347094 (E_RNA) where: Base-Base interactions energy: -46.318 where: short stacking energy: -40.130 Base-Backbone interact. energy: -0.219 local terms energy: -49.809789 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -15.142 flat angles C4'-P-C4' energy: -10.106 flat angles P-C4'-P energy: -4.682 tors. eta vs tors. theta energy: -6.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 251 Temperature: 1.250000 Total energy: -120.625575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -120.625575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -120.625575 (E_RNA) where: Base-Base interactions energy: -67.406 where: short stacking energy: -30.870 Base-Backbone interact. energy: -0.657 local terms energy: -52.562052 where: bonds (distance) C4'-P energy: -10.774 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -11.335 flat angles P-C4'-P energy: -11.583 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: 8 ===================================== Write number: 251 Temperature: 1.300000 Total energy: -129.947206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.947206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.947206 (E_RNA) where: Base-Base interactions energy: -73.631 where: short stacking energy: -43.983 Base-Backbone interact. energy: -0.110 local terms energy: -56.206726 where: bonds (distance) C4'-P energy: -13.804 bonds (distance) P-C4' energy: -11.939 flat angles C4'-P-C4' energy: -11.910 flat angles P-C4'-P energy: -12.037 tors. eta vs tors. theta energy: -6.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 251 Temperature: 1.350000 Total energy: -71.714316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.714316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.714316 (E_RNA) where: Base-Base interactions energy: -33.556 where: short stacking energy: -26.575 Base-Backbone interact. energy: -0.007 local terms energy: -38.151811 where: bonds (distance) C4'-P energy: -16.552 bonds (distance) P-C4' energy: -11.327 flat angles C4'-P-C4' energy: -11.158 flat angles P-C4'-P energy: -2.022 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: 1, replica: 9 ===================================== Write number: 252 Temperature: 0.900000 Total energy: -205.376387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.376387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.376387 (E_RNA) where: Base-Base interactions energy: -135.160 where: short stacking energy: -65.674 Base-Backbone interact. energy: -0.020 local terms energy: -70.196814 where: bonds (distance) C4'-P energy: -16.220 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -11.073 flat angles P-C4'-P energy: -12.284 tors. eta vs tors. theta energy: -16.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 252 Temperature: 0.950000 Total energy: -187.966220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.966220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.966220 (E_RNA) where: Base-Base interactions energy: -126.109 where: short stacking energy: -62.001 Base-Backbone interact. energy: -0.036 local terms energy: -61.821368 where: bonds (distance) C4'-P energy: -13.033 bonds (distance) P-C4' energy: -11.954 flat angles C4'-P-C4' energy: -10.377 flat angles P-C4'-P energy: -8.994 tors. eta vs tors. theta energy: -17.464 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: 1 ===================================== Write number: 252 Temperature: 1.000000 Total energy: -190.320304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.320304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.320304 (E_RNA) where: Base-Base interactions energy: -120.801 where: short stacking energy: -54.735 Base-Backbone interact. energy: -0.000 local terms energy: -69.519597 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -14.782 flat angles C4'-P-C4' energy: -14.221 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -19.720 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 252 Temperature: 1.050000 Total energy: -197.086842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.086842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.086842 (E_RNA) where: Base-Base interactions energy: -128.459 where: short stacking energy: -61.146 Base-Backbone interact. energy: -0.014 local terms energy: -68.613933 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -13.759 flat angles P-C4'-P energy: -12.432 tors. eta vs tors. theta energy: -16.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 252 Temperature: 1.100000 Total energy: -177.305353 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.305353 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.305353 (E_RNA) where: Base-Base interactions energy: -113.758 where: short stacking energy: -52.562 Base-Backbone interact. energy: -0.066 local terms energy: -63.481300 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -13.870 flat angles P-C4'-P energy: -9.611 tors. eta vs tors. theta energy: -12.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 252 Temperature: 1.150000 Total energy: -97.608522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.608522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.608522 (E_RNA) where: Base-Base interactions energy: -48.844 where: short stacking energy: -41.012 Base-Backbone interact. energy: -0.003 local terms energy: -48.761557 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -12.545 flat angles P-C4'-P energy: -6.345 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: 7, replica: 5 ===================================== Write number: 252 Temperature: 1.200000 Total energy: -98.861806 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.861806 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.861806 (E_RNA) where: Base-Base interactions energy: -42.948 where: short stacking energy: -28.198 Base-Backbone interact. energy: -0.129 local terms energy: -55.784243 where: bonds (distance) C4'-P energy: -15.243 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -1.645 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 252 Temperature: 1.250000 Total energy: -72.382694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.382694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.382694 (E_RNA) where: Base-Base interactions energy: -25.786 where: short stacking energy: -20.952 Base-Backbone interact. energy: -0.166 local terms energy: -46.430971 where: bonds (distance) C4'-P energy: -11.774 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -7.662 tors. eta vs tors. theta energy: -1.287 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 252 Temperature: 1.300000 Total energy: -117.912664 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -117.912664 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -117.912664 (E_RNA) where: Base-Base interactions energy: -65.381 where: short stacking energy: -34.163 Base-Backbone interact. energy: 0.970 local terms energy: -53.501201 where: bonds (distance) C4'-P energy: -9.137 bonds (distance) P-C4' energy: -14.154 flat angles C4'-P-C4' energy: -8.177 flat angles P-C4'-P energy: -9.605 tors. eta vs tors. theta energy: -12.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 252 Temperature: 1.350000 Total energy: -72.364325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.364325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.364325 (E_RNA) where: Base-Base interactions energy: -36.081 where: short stacking energy: -20.128 Base-Backbone interact. energy: 2.648 local terms energy: -38.932143 where: bonds (distance) C4'-P energy: -7.089 bonds (distance) P-C4' energy: -14.370 flat angles C4'-P-C4' energy: -10.775 flat angles P-C4'-P energy: -5.972 tors. eta vs tors. theta energy: -0.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 253 Temperature: 0.900000 Total energy: -208.516661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.516661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.516661 (E_RNA) where: Base-Base interactions energy: -136.742 where: short stacking energy: -64.816 Base-Backbone interact. energy: -0.000 local terms energy: -71.774829 where: bonds (distance) C4'-P energy: -14.266 bonds (distance) P-C4' energy: -13.832 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -9.123 tors. eta vs tors. theta energy: -19.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 253 Temperature: 0.950000 Total energy: -198.477661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.477661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.477661 (E_RNA) where: Base-Base interactions energy: -130.119 where: short stacking energy: -58.871 Base-Backbone interact. energy: -0.720 local terms energy: -67.638583 where: bonds (distance) C4'-P energy: -11.783 bonds (distance) P-C4' energy: -12.820 flat angles C4'-P-C4' energy: -12.877 flat angles P-C4'-P energy: -10.901 tors. eta vs tors. theta energy: -19.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 253 Temperature: 1.000000 Total energy: -191.680005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.680005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.680005 (E_RNA) where: Base-Base interactions energy: -122.469 where: short stacking energy: -63.745 Base-Backbone interact. energy: -0.000 local terms energy: -69.210725 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -14.918 flat angles P-C4'-P energy: -10.113 tors. eta vs tors. theta energy: -17.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 253 Temperature: 1.050000 Total energy: -208.320388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.320388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.320388 (E_RNA) where: Base-Base interactions energy: -141.022 where: short stacking energy: -64.578 Base-Backbone interact. energy: 2.394 local terms energy: -69.691767 where: bonds (distance) C4'-P energy: -9.900 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -15.859 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -18.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 253 Temperature: 1.100000 Total energy: -166.792807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.792807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.792807 (E_RNA) where: Base-Base interactions energy: -111.603 where: short stacking energy: -53.644 Base-Backbone interact. energy: -0.001 local terms energy: -55.188396 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -12.213 flat angles C4'-P-C4' energy: -6.935 flat angles P-C4'-P energy: -11.035 tors. eta vs tors. theta energy: -12.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 253 Temperature: 1.150000 Total energy: -96.006621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.006621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.006621 (E_RNA) where: Base-Base interactions energy: -34.971 where: short stacking energy: -34.971 Base-Backbone interact. energy: -0.305 local terms energy: -60.730939 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -8.046 tors. eta vs tors. theta energy: -9.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 253 Temperature: 1.200000 Total energy: -94.540223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.540223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.540223 (E_RNA) where: Base-Base interactions energy: -42.008 where: short stacking energy: -42.008 Base-Backbone interact. energy: -0.026 local terms energy: -52.506082 where: bonds (distance) C4'-P energy: -8.288 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -13.227 flat angles P-C4'-P energy: -10.294 tors. eta vs tors. theta energy: -4.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 253 Temperature: 1.250000 Total energy: -129.924697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -129.924697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -129.924697 (E_RNA) where: Base-Base interactions energy: -75.074 where: short stacking energy: -29.794 Base-Backbone interact. energy: -0.352 local terms energy: -54.498870 where: bonds (distance) C4'-P energy: -13.568 bonds (distance) P-C4' energy: -11.694 flat angles C4'-P-C4' energy: -10.964 flat angles P-C4'-P energy: -10.606 tors. eta vs tors. theta energy: -7.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 253 Temperature: 1.300000 Total energy: -73.462284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.462284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.462284 (E_RNA) where: Base-Base interactions energy: -30.298 where: short stacking energy: -25.303 Base-Backbone interact. energy: -0.091 local terms energy: -43.073953 where: bonds (distance) C4'-P energy: -16.196 bonds (distance) P-C4' energy: -9.541 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -6.206 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: 10, replica: 7 ===================================== Write number: 253 Temperature: 1.350000 Total energy: -72.288615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.288615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.288615 (E_RNA) where: Base-Base interactions energy: -31.312 where: short stacking energy: -31.312 Base-Backbone interact. energy: -1.159 local terms energy: -39.817183 where: bonds (distance) C4'-P energy: -9.702 bonds (distance) P-C4' energy: -13.126 flat angles C4'-P-C4' energy: -11.931 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: 1.456 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 254 Temperature: 0.900000 Total energy: -209.726406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.726406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.726406 (E_RNA) where: Base-Base interactions energy: -137.769 where: short stacking energy: -64.980 Base-Backbone interact. energy: -0.001 local terms energy: -71.956659 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -12.387 flat angles C4'-P-C4' energy: -13.671 flat angles P-C4'-P energy: -12.700 tors. eta vs tors. theta energy: -20.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 254 Temperature: 0.950000 Total energy: -199.297475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.297475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.297475 (E_RNA) where: Base-Base interactions energy: -128.897 where: short stacking energy: -57.605 Base-Backbone interact. energy: -0.003 local terms energy: -70.397216 where: bonds (distance) C4'-P energy: -12.867 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -13.714 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -18.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 254 Temperature: 1.000000 Total energy: -207.503984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.503984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.503984 (E_RNA) where: Base-Base interactions energy: -133.281 where: short stacking energy: -64.714 Base-Backbone interact. energy: -0.002 local terms energy: -74.221117 where: bonds (distance) C4'-P energy: -12.258 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -15.106 flat angles P-C4'-P energy: -12.296 tors. eta vs tors. theta energy: -20.137 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: 3 ===================================== Write number: 254 Temperature: 1.050000 Total energy: -180.760165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.760165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.760165 (E_RNA) where: Base-Base interactions energy: -122.991 where: short stacking energy: -58.466 Base-Backbone interact. energy: -0.057 local terms energy: -57.712213 where: bonds (distance) C4'-P energy: -10.359 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -10.763 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -14.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 254 Temperature: 1.100000 Total energy: -168.198187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.198187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.198187 (E_RNA) where: Base-Base interactions energy: -115.244 where: short stacking energy: -51.274 Base-Backbone interact. energy: 0.700 local terms energy: -53.654125 where: bonds (distance) C4'-P energy: -6.745 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -13.152 flat angles P-C4'-P energy: -7.455 tors. eta vs tors. theta energy: -10.959 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 254 Temperature: 1.150000 Total energy: -95.761950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.761950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.761950 (E_RNA) where: Base-Base interactions energy: -46.789 where: short stacking energy: -34.659 Base-Backbone interact. energy: -0.029 local terms energy: -48.944585 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -11.716 flat angles P-C4'-P energy: -5.899 tors. eta vs tors. theta energy: -3.262 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 254 Temperature: 1.200000 Total energy: -152.526698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.526698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.526698 (E_RNA) where: Base-Base interactions energy: -96.404 where: short stacking energy: -43.521 Base-Backbone interact. energy: -0.134 local terms energy: -55.988962 where: bonds (distance) C4'-P energy: -6.430 bonds (distance) P-C4' energy: -14.801 flat angles C4'-P-C4' energy: -12.516 flat angles P-C4'-P energy: -12.810 tors. eta vs tors. theta energy: -9.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 254 Temperature: 1.250000 Total energy: -88.791747 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.791747 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.791747 (E_RNA) where: Base-Base interactions energy: -41.539 where: short stacking energy: -29.650 Base-Backbone interact. energy: 0.542 local terms energy: -47.794893 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -11.911 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -6.058 tors. eta vs tors. theta energy: -4.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 254 Temperature: 1.300000 Total energy: -70.572987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.572987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.572987 (E_RNA) where: Base-Base interactions energy: -24.736 where: short stacking energy: -19.307 Base-Backbone interact. energy: -0.108 local terms energy: -45.729276 where: bonds (distance) C4'-P energy: -12.772 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -3.880 tors. eta vs tors. theta energy: -1.697 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: 10, replica: 2 ===================================== Write number: 254 Temperature: 1.350000 Total energy: -76.693491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.693491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.693491 (E_RNA) where: Base-Base interactions energy: -32.105 where: short stacking energy: -28.958 Base-Backbone interact. energy: -0.176 local terms energy: -44.412303 where: bonds (distance) C4'-P energy: -8.520 bonds (distance) P-C4' energy: -10.998 flat angles C4'-P-C4' energy: -10.188 flat angles P-C4'-P energy: -8.946 tors. eta vs tors. theta energy: -5.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 255 Temperature: 0.900000 Total energy: -210.356402 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.356402 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.356402 (E_RNA) where: Base-Base interactions energy: -139.438 where: short stacking energy: -66.602 Base-Backbone interact. energy: 0.065 local terms energy: -70.982987 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -12.376 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -13.051 tors. eta vs tors. theta energy: -19.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 255 Temperature: 0.950000 Total energy: -206.781531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.781531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.781531 (E_RNA) where: Base-Base interactions energy: -137.554 where: short stacking energy: -66.736 Base-Backbone interact. energy: -0.000 local terms energy: -69.227851 where: bonds (distance) C4'-P energy: -15.190 bonds (distance) P-C4' energy: -12.827 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -10.803 tors. eta vs tors. theta energy: -18.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 255 Temperature: 1.000000 Total energy: -193.394699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.394699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.394699 (E_RNA) where: Base-Base interactions energy: -132.280 where: short stacking energy: -55.528 Base-Backbone interact. energy: -0.071 local terms energy: -61.043813 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -8.870 flat angles C4'-P-C4' energy: -13.825 flat angles P-C4'-P energy: -4.874 tors. eta vs tors. theta energy: -18.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 255 Temperature: 1.050000 Total energy: -187.159248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.159248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.159248 (E_RNA) where: Base-Base interactions energy: -122.108 where: short stacking energy: -53.749 Base-Backbone interact. energy: -0.094 local terms energy: -64.956840 where: bonds (distance) C4'-P energy: -15.314 bonds (distance) P-C4' energy: -12.065 flat angles C4'-P-C4' energy: -13.375 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -16.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 255 Temperature: 1.100000 Total energy: -165.978356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.978356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.978356 (E_RNA) where: Base-Base interactions energy: -106.643 where: short stacking energy: -51.690 Base-Backbone interact. energy: -0.023 local terms energy: -59.311957 where: bonds (distance) C4'-P energy: -12.942 bonds (distance) P-C4' energy: -12.430 flat angles C4'-P-C4' energy: -11.215 flat angles P-C4'-P energy: -8.871 tors. eta vs tors. theta energy: -13.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 255 Temperature: 1.150000 Total energy: -170.747909 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.747909 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.747909 (E_RNA) where: Base-Base interactions energy: -114.876 where: short stacking energy: -57.476 Base-Backbone interact. energy: 0.241 local terms energy: -56.112569 where: bonds (distance) C4'-P energy: -6.274 bonds (distance) P-C4' energy: -13.436 flat angles C4'-P-C4' energy: -14.566 flat angles P-C4'-P energy: -9.648 tors. eta vs tors. theta energy: -12.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 255 Temperature: 1.200000 Total energy: -104.155599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -104.155599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -104.155599 (E_RNA) where: Base-Base interactions energy: -55.614 where: short stacking energy: -43.619 Base-Backbone interact. energy: -0.380 local terms energy: -48.161172 where: bonds (distance) C4'-P energy: -14.382 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -11.300 flat angles P-C4'-P energy: -8.135 tors. eta vs tors. theta energy: -2.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 255 Temperature: 1.250000 Total energy: -77.200441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.200441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.200441 (E_RNA) where: Base-Base interactions energy: -32.752 where: short stacking energy: -32.752 Base-Backbone interact. energy: -0.128 local terms energy: -44.319870 where: bonds (distance) C4'-P energy: -9.017 bonds (distance) P-C4' energy: -13.645 flat angles C4'-P-C4' energy: -9.991 flat angles P-C4'-P energy: -7.397 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: 9, replica: 5 ===================================== Write number: 255 Temperature: 1.300000 Total energy: -82.682857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.682857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.682857 (E_RNA) where: Base-Base interactions energy: -29.549 where: short stacking energy: -29.549 Base-Backbone interact. energy: -0.100 local terms energy: -53.033676 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -11.248 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -9.309 tors. eta vs tors. theta energy: -5.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 255 Temperature: 1.350000 Total energy: -76.133138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.133138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.133138 (E_RNA) where: Base-Base interactions energy: -28.596 where: short stacking energy: -16.130 Base-Backbone interact. energy: 1.682 local terms energy: -49.219034 where: bonds (distance) C4'-P energy: -10.102 bonds (distance) P-C4' energy: -14.694 flat angles C4'-P-C4' energy: -11.100 flat angles P-C4'-P energy: -11.790 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: 1, replica: 4 ===================================== Write number: 256 Temperature: 0.900000 Total energy: -212.082654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.082654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.082654 (E_RNA) where: Base-Base interactions energy: -139.706 where: short stacking energy: -65.821 Base-Backbone interact. energy: -0.029 local terms energy: -72.347239 where: bonds (distance) C4'-P energy: -13.745 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -15.092 flat angles P-C4'-P energy: -10.839 tors. eta vs tors. theta energy: -17.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 256 Temperature: 0.950000 Total energy: -208.338235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.338235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.338235 (E_RNA) where: Base-Base interactions energy: -138.265 where: short stacking energy: -67.162 Base-Backbone interact. energy: -0.280 local terms energy: -69.793366 where: bonds (distance) C4'-P energy: -14.146 bonds (distance) P-C4' energy: -13.230 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -9.369 tors. eta vs tors. theta energy: -20.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 256 Temperature: 1.000000 Total energy: -189.406060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.406060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.406060 (E_RNA) where: Base-Base interactions energy: -128.054 where: short stacking energy: -54.565 Base-Backbone interact. energy: -0.008 local terms energy: -61.344654 where: bonds (distance) C4'-P energy: -9.283 bonds (distance) P-C4' energy: -11.031 flat angles C4'-P-C4' energy: -16.949 flat angles P-C4'-P energy: -7.516 tors. eta vs tors. theta energy: -16.566 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: 4, replica: 1 ===================================== Write number: 256 Temperature: 1.050000 Total energy: -173.899332 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.899332 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.899332 (E_RNA) where: Base-Base interactions energy: -103.940 where: short stacking energy: -50.683 Base-Backbone interact. energy: -0.727 local terms energy: -69.233018 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -16.062 flat angles C4'-P-C4' energy: -13.695 flat angles P-C4'-P energy: -10.652 tors. eta vs tors. theta energy: -15.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 256 Temperature: 1.100000 Total energy: -179.039239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.039239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.039239 (E_RNA) where: Base-Base interactions energy: -121.078 where: short stacking energy: -52.477 Base-Backbone interact. energy: -0.094 local terms energy: -57.866852 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -11.513 flat angles C4'-P-C4' energy: -11.625 flat angles P-C4'-P energy: -5.660 tors. eta vs tors. theta energy: -15.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 256 Temperature: 1.150000 Total energy: -153.997382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.997382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.997382 (E_RNA) where: Base-Base interactions energy: -94.662 where: short stacking energy: -42.839 Base-Backbone interact. energy: -0.084 local terms energy: -59.251461 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -12.209 flat angles C4'-P-C4' energy: -13.733 flat angles P-C4'-P energy: -8.906 tors. eta vs tors. theta energy: -13.328 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 256 Temperature: 1.200000 Total energy: -88.742630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.742630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.742630 (E_RNA) where: Base-Base interactions energy: -35.176 where: short stacking energy: -33.407 Base-Backbone interact. energy: -0.495 local terms energy: -53.071139 where: bonds (distance) C4'-P energy: -10.734 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -9.474 flat angles P-C4'-P energy: -9.352 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: 8, replica: 10 ===================================== Write number: 256 Temperature: 1.250000 Total energy: -82.614207 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.614207 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.614207 (E_RNA) where: Base-Base interactions energy: -31.410 where: short stacking energy: -30.166 Base-Backbone interact. energy: -0.299 local terms energy: -50.904853 where: bonds (distance) C4'-P energy: -14.482 bonds (distance) P-C4' energy: -11.647 flat angles C4'-P-C4' energy: -12.668 flat angles P-C4'-P energy: -5.209 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: 9, replica: 2 ===================================== Write number: 256 Temperature: 1.300000 Total energy: -81.317299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.317299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.317299 (E_RNA) where: Base-Base interactions energy: -33.717 where: short stacking energy: -33.717 Base-Backbone interact. energy: -0.090 local terms energy: -47.510032 where: bonds (distance) C4'-P energy: -10.154 bonds (distance) P-C4' energy: -14.373 flat angles C4'-P-C4' energy: -11.866 flat angles P-C4'-P energy: -4.020 tors. eta vs tors. theta energy: -7.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 256 Temperature: 1.350000 Total energy: -75.394140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.394140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.394140 (E_RNA) where: Base-Base interactions energy: -30.902 where: short stacking energy: -21.980 Base-Backbone interact. energy: -0.198 local terms energy: -44.293535 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -15.029 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: 2.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 257 Temperature: 0.900000 Total energy: -201.994925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.994925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.994925 (E_RNA) where: Base-Base interactions energy: -132.397 where: short stacking energy: -62.182 Base-Backbone interact. energy: 0.664 local terms energy: -70.262047 where: bonds (distance) C4'-P energy: -15.021 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -16.865 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -13.132 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: 9 ===================================== Write number: 257 Temperature: 0.950000 Total energy: -207.905253 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.905253 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.905253 (E_RNA) where: Base-Base interactions energy: -143.001 where: short stacking energy: -61.610 Base-Backbone interact. energy: -0.059 local terms energy: -64.845187 where: bonds (distance) C4'-P energy: -12.552 bonds (distance) P-C4' energy: -12.200 flat angles C4'-P-C4' energy: -15.347 flat angles P-C4'-P energy: -7.067 tors. eta vs tors. theta energy: -17.679 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: 6 ===================================== Write number: 257 Temperature: 1.000000 Total energy: -189.817527 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.817527 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.817527 (E_RNA) where: Base-Base interactions energy: -130.531 where: short stacking energy: -57.716 Base-Backbone interact. energy: -0.087 local terms energy: -59.200164 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -12.932 flat angles P-C4'-P energy: -6.244 tors. eta vs tors. theta energy: -13.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 257 Temperature: 1.050000 Total energy: -181.479602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.479602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.479602 (E_RNA) where: Base-Base interactions energy: -117.296 where: short stacking energy: -52.611 Base-Backbone interact. energy: -0.749 local terms energy: -63.434196 where: bonds (distance) C4'-P energy: -11.919 bonds (distance) P-C4' energy: -13.087 flat angles C4'-P-C4' energy: -10.071 flat angles P-C4'-P energy: -10.652 tors. eta vs tors. theta energy: -17.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 257 Temperature: 1.100000 Total energy: -165.687657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.687657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.687657 (E_RNA) where: Base-Base interactions energy: -114.984 where: short stacking energy: -42.261 Base-Backbone interact. energy: -0.024 local terms energy: -50.679272 where: bonds (distance) C4'-P energy: -8.082 bonds (distance) P-C4' energy: -14.265 flat angles C4'-P-C4' energy: -11.034 flat angles P-C4'-P energy: -7.642 tors. eta vs tors. theta energy: -9.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 257 Temperature: 1.150000 Total energy: -173.910438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.910438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.910438 (E_RNA) where: Base-Base interactions energy: -110.827 where: short stacking energy: -52.054 Base-Backbone interact. energy: -0.001 local terms energy: -63.082425 where: bonds (distance) C4'-P energy: -15.480 bonds (distance) P-C4' energy: -11.996 flat angles C4'-P-C4' energy: -12.654 flat angles P-C4'-P energy: -6.521 tors. eta vs tors. theta energy: -16.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 257 Temperature: 1.200000 Total energy: -84.666448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.666448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.666448 (E_RNA) where: Base-Base interactions energy: -24.824 where: short stacking energy: -23.040 Base-Backbone interact. energy: -0.102 local terms energy: -59.741270 where: bonds (distance) C4'-P energy: -15.823 bonds (distance) P-C4' energy: -15.663 flat angles C4'-P-C4' energy: -11.232 flat angles P-C4'-P energy: -10.151 tors. eta vs tors. theta energy: -6.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 257 Temperature: 1.250000 Total energy: -87.824361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.824361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.824361 (E_RNA) where: Base-Base interactions energy: -38.993 where: short stacking energy: -38.993 Base-Backbone interact. energy: -0.004 local terms energy: -48.828235 where: bonds (distance) C4'-P energy: -8.193 bonds (distance) P-C4' energy: -11.190 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -8.219 tors. eta vs tors. theta energy: -8.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 257 Temperature: 1.300000 Total energy: -79.872793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.872793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.872793 (E_RNA) where: Base-Base interactions energy: -36.275 where: short stacking energy: -30.946 Base-Backbone interact. energy: -0.037 local terms energy: -43.561454 where: bonds (distance) C4'-P energy: -7.316 bonds (distance) P-C4' energy: -13.004 flat angles C4'-P-C4' energy: -10.563 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -3.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 257 Temperature: 1.350000 Total energy: -80.561089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.561089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.561089 (E_RNA) where: Base-Base interactions energy: -40.771 where: short stacking energy: -25.615 Base-Backbone interact. energy: -0.460 local terms energy: -39.329316 where: bonds (distance) C4'-P energy: -10.972 bonds (distance) P-C4' energy: -15.734 flat angles C4'-P-C4' energy: -1.527 flat angles P-C4'-P energy: -9.067 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: 1, replica: 9 ===================================== Write number: 258 Temperature: 0.900000 Total energy: -211.708953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.708953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.708953 (E_RNA) where: Base-Base interactions energy: -145.028 where: short stacking energy: -71.048 Base-Backbone interact. energy: -0.002 local terms energy: -66.678389 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -13.364 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -11.835 tors. eta vs tors. theta energy: -17.251 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 258 Temperature: 0.950000 Total energy: -208.289598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.289598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.289598 (E_RNA) where: Base-Base interactions energy: -139.067 where: short stacking energy: -59.214 Base-Backbone interact. energy: -0.003 local terms energy: -69.219515 where: bonds (distance) C4'-P energy: -11.335 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -14.028 flat angles P-C4'-P energy: -8.874 tors. eta vs tors. theta energy: -20.139 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: 6 ===================================== Write number: 258 Temperature: 1.000000 Total energy: -195.219844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.219844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.219844 (E_RNA) where: Base-Base interactions energy: -131.632 where: short stacking energy: -59.582 Base-Backbone interact. energy: -0.115 local terms energy: -63.472600 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -15.412 flat angles P-C4'-P energy: -7.472 tors. eta vs tors. theta energy: -16.497 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: 8 ===================================== Write number: 258 Temperature: 1.050000 Total energy: -176.835688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.835688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.835688 (E_RNA) where: Base-Base interactions energy: -113.506 where: short stacking energy: -41.825 Base-Backbone interact. energy: 0.263 local terms energy: -63.592237 where: bonds (distance) C4'-P energy: -12.664 bonds (distance) P-C4' energy: -16.637 flat angles C4'-P-C4' energy: -10.100 flat angles P-C4'-P energy: -9.458 tors. eta vs tors. theta energy: -14.733 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: 3 ===================================== Write number: 258 Temperature: 1.100000 Total energy: -174.840015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.840015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.840015 (E_RNA) where: Base-Base interactions energy: -110.984 where: short stacking energy: -56.129 Base-Backbone interact. energy: -0.008 local terms energy: -63.848726 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -14.808 flat angles C4'-P-C4' energy: -12.786 flat angles P-C4'-P energy: -8.103 tors. eta vs tors. theta energy: -13.087 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: 1 ===================================== Write number: 258 Temperature: 1.150000 Total energy: -156.827926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.827926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.827926 (E_RNA) where: Base-Base interactions energy: -102.624 where: short stacking energy: -44.123 Base-Backbone interact. energy: -0.011 local terms energy: -54.192550 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -8.494 flat angles C4'-P-C4' energy: -12.933 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -10.755 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 258 Temperature: 1.200000 Total energy: -94.782530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.782530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.782530 (E_RNA) where: Base-Base interactions energy: -38.510 where: short stacking energy: -38.510 Base-Backbone interact. energy: -1.185 local terms energy: -55.087181 where: bonds (distance) C4'-P energy: -10.814 bonds (distance) P-C4' energy: -12.279 flat angles C4'-P-C4' energy: -10.495 flat angles P-C4'-P energy: -10.016 tors. eta vs tors. theta energy: -11.483 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 258 Temperature: 1.250000 Total energy: -81.518901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.518901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.518901 (E_RNA) where: Base-Base interactions energy: -34.826 where: short stacking energy: -28.764 Base-Backbone interact. energy: -0.198 local terms energy: -46.494234 where: bonds (distance) C4'-P energy: -13.766 bonds (distance) P-C4' energy: -10.775 flat angles C4'-P-C4' energy: -11.815 flat angles P-C4'-P energy: -7.115 tors. eta vs tors. theta energy: -3.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 258 Temperature: 1.300000 Total energy: -85.800180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.800180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.800180 (E_RNA) where: Base-Base interactions energy: -35.853 where: short stacking energy: -28.881 Base-Backbone interact. energy: -0.025 local terms energy: -49.923102 where: bonds (distance) C4'-P energy: -10.768 bonds (distance) P-C4' energy: -11.309 flat angles C4'-P-C4' energy: -14.868 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -5.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 258 Temperature: 1.350000 Total energy: -71.644679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.644679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.644679 (E_RNA) where: Base-Base interactions energy: -31.789 where: short stacking energy: -30.293 Base-Backbone interact. energy: -0.846 local terms energy: -39.009703 where: bonds (distance) C4'-P energy: -8.898 bonds (distance) P-C4' energy: -11.430 flat angles C4'-P-C4' energy: -10.700 flat angles P-C4'-P energy: -2.008 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: 1, replica: 9 ===================================== Write number: 259 Temperature: 0.900000 Total energy: -210.332650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.332650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.332650 (E_RNA) where: Base-Base interactions energy: -138.677 where: short stacking energy: -64.982 Base-Backbone interact. energy: -0.008 local terms energy: -71.647831 where: bonds (distance) C4'-P energy: -12.520 bonds (distance) P-C4' energy: -15.893 flat angles C4'-P-C4' energy: -14.950 flat angles P-C4'-P energy: -10.792 tors. eta vs tors. theta energy: -17.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 259 Temperature: 0.950000 Total energy: -196.402923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.402923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.402923 (E_RNA) where: Base-Base interactions energy: -119.387 where: short stacking energy: -64.097 Base-Backbone interact. energy: -0.091 local terms energy: -76.924585 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -17.339 flat angles P-C4'-P energy: -9.023 tors. eta vs tors. theta energy: -21.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 259 Temperature: 1.000000 Total energy: -203.388537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.388537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.388537 (E_RNA) where: Base-Base interactions energy: -128.494 where: short stacking energy: -57.022 Base-Backbone interact. energy: -0.003 local terms energy: -74.891551 where: bonds (distance) C4'-P energy: -13.944 bonds (distance) P-C4' energy: -16.396 flat angles C4'-P-C4' energy: -12.738 flat angles P-C4'-P energy: -11.443 tors. eta vs tors. theta energy: -20.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 259 Temperature: 1.050000 Total energy: -171.279609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.279609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.279609 (E_RNA) where: Base-Base interactions energy: -111.627 where: short stacking energy: -55.485 Base-Backbone interact. energy: -0.224 local terms energy: -59.428348 where: bonds (distance) C4'-P energy: -12.419 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -15.566 flat angles P-C4'-P energy: -7.248 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: 3 ===================================== Write number: 259 Temperature: 1.100000 Total energy: -168.743390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.743390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.743390 (E_RNA) where: Base-Base interactions energy: -113.305 where: short stacking energy: -52.879 Base-Backbone interact. energy: -0.275 local terms energy: -55.163660 where: bonds (distance) C4'-P energy: -5.867 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -10.828 flat angles P-C4'-P energy: -8.106 tors. eta vs tors. theta energy: -14.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 259 Temperature: 1.150000 Total energy: -162.437053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.437053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.437053 (E_RNA) where: Base-Base interactions energy: -110.194 where: short stacking energy: -49.052 Base-Backbone interact. energy: 0.029 local terms energy: -52.271430 where: bonds (distance) C4'-P energy: -7.133 bonds (distance) P-C4' energy: -10.685 flat angles C4'-P-C4' energy: -12.605 flat angles P-C4'-P energy: -8.624 tors. eta vs tors. theta energy: -13.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 259 Temperature: 1.200000 Total energy: -88.818511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.818511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.818511 (E_RNA) where: Base-Base interactions energy: -46.902 where: short stacking energy: -34.014 Base-Backbone interact. energy: 0.060 local terms energy: -41.977424 where: bonds (distance) C4'-P energy: -9.474 bonds (distance) P-C4' energy: -11.507 flat angles C4'-P-C4' energy: -9.475 flat angles P-C4'-P energy: -6.730 tors. eta vs tors. theta energy: -4.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 259 Temperature: 1.250000 Total energy: -92.235748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.235748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.235748 (E_RNA) where: Base-Base interactions energy: -38.669 where: short stacking energy: -38.669 Base-Backbone interact. energy: -0.069 local terms energy: -53.497493 where: bonds (distance) C4'-P energy: -15.086 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -4.845 flat angles P-C4'-P energy: -10.149 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: 9, replica: 7 ===================================== Write number: 259 Temperature: 1.300000 Total energy: -71.853120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.853120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.853120 (E_RNA) where: Base-Base interactions energy: -28.959 where: short stacking energy: -25.701 Base-Backbone interact. energy: -0.057 local terms energy: -42.837699 where: bonds (distance) C4'-P energy: -12.060 bonds (distance) P-C4' energy: -11.531 flat angles C4'-P-C4' energy: -9.479 flat angles P-C4'-P energy: -8.154 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: 10, replica: 10 ===================================== Write number: 259 Temperature: 1.350000 Total energy: -71.898103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.898103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.898103 (E_RNA) where: Base-Base interactions energy: -27.692 where: short stacking energy: -21.164 Base-Backbone interact. energy: -0.113 local terms energy: -44.093057 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -8.620 flat angles P-C4'-P energy: -9.930 tors. eta vs tors. theta energy: 0.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 260 Temperature: 0.900000 Total energy: -210.881555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.881555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.881555 (E_RNA) where: Base-Base interactions energy: -137.949 where: short stacking energy: -62.283 Base-Backbone interact. energy: -0.162 local terms energy: -72.770915 where: bonds (distance) C4'-P energy: -15.840 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -13.053 flat angles P-C4'-P energy: -9.304 tors. eta vs tors. theta energy: -18.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 260 Temperature: 0.950000 Total energy: -193.455025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.455025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.455025 (E_RNA) where: Base-Base interactions energy: -124.171 where: short stacking energy: -63.342 Base-Backbone interact. energy: -0.011 local terms energy: -69.273359 where: bonds (distance) C4'-P energy: -12.958 bonds (distance) P-C4' energy: -16.302 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -17.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 260 Temperature: 1.000000 Total energy: -194.151019 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.151019 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.151019 (E_RNA) where: Base-Base interactions energy: -124.674 where: short stacking energy: -55.737 Base-Backbone interact. energy: 0.569 local terms energy: -70.045462 where: bonds (distance) C4'-P energy: -12.160 bonds (distance) P-C4' energy: -14.368 flat angles C4'-P-C4' energy: -14.754 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -17.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 260 Temperature: 1.050000 Total energy: -176.945572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.945572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.945572 (E_RNA) where: Base-Base interactions energy: -112.156 where: short stacking energy: -49.808 Base-Backbone interact. energy: -0.016 local terms energy: -64.774144 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -10.884 flat angles C4'-P-C4' energy: -15.308 flat angles P-C4'-P energy: -10.712 tors. eta vs tors. theta energy: -15.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 260 Temperature: 1.100000 Total energy: -179.495405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.495405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.495405 (E_RNA) where: Base-Base interactions energy: -116.834 where: short stacking energy: -60.628 Base-Backbone interact. energy: -0.120 local terms energy: -62.541485 where: bonds (distance) C4'-P energy: -11.936 bonds (distance) P-C4' energy: -15.775 flat angles C4'-P-C4' energy: -13.480 flat angles P-C4'-P energy: -9.205 tors. eta vs tors. theta energy: -12.145 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: 3 ===================================== Write number: 260 Temperature: 1.150000 Total energy: -174.757126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.757126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.757126 (E_RNA) where: Base-Base interactions energy: -114.957 where: short stacking energy: -51.083 Base-Backbone interact. energy: -0.342 local terms energy: -59.457566 where: bonds (distance) C4'-P energy: -15.090 bonds (distance) P-C4' energy: -11.239 flat angles C4'-P-C4' energy: -9.738 flat angles P-C4'-P energy: -6.157 tors. eta vs tors. theta energy: -17.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 260 Temperature: 1.200000 Total energy: -86.063587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.063587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.063587 (E_RNA) where: Base-Base interactions energy: -29.666 where: short stacking energy: -27.469 Base-Backbone interact. energy: -0.035 local terms energy: -56.362299 where: bonds (distance) C4'-P energy: -15.480 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -10.139 flat angles P-C4'-P energy: -8.582 tors. eta vs tors. theta energy: -7.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 260 Temperature: 1.250000 Total energy: -84.838673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.838673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.838673 (E_RNA) where: Base-Base interactions energy: -34.982 where: short stacking energy: -32.249 Base-Backbone interact. energy: -0.041 local terms energy: -49.815000 where: bonds (distance) C4'-P energy: -8.206 bonds (distance) P-C4' energy: -12.461 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -8.872 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: 9, replica: 10 ===================================== Write number: 260 Temperature: 1.300000 Total energy: -76.290899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.290899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.290899 (E_RNA) where: Base-Base interactions energy: -26.630 where: short stacking energy: -21.614 Base-Backbone interact. energy: -0.041 local terms energy: -49.619446 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -8.901 flat angles C4'-P-C4' energy: -15.063 flat angles P-C4'-P energy: -10.905 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: 10, replica: 7 ===================================== Write number: 260 Temperature: 1.350000 Total energy: -73.999478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.999478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.999478 (E_RNA) where: Base-Base interactions energy: -28.726 where: short stacking energy: -28.525 Base-Backbone interact. energy: -0.113 local terms energy: -45.161329 where: bonds (distance) C4'-P energy: -13.025 bonds (distance) P-C4' energy: -10.745 flat angles C4'-P-C4' energy: -9.102 flat angles P-C4'-P energy: -10.048 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: 9 ===================================== Write number: 261 Temperature: 0.900000 Total energy: -211.548714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.548714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.548714 (E_RNA) where: Base-Base interactions energy: -140.653 where: short stacking energy: -68.222 Base-Backbone interact. energy: -0.250 local terms energy: -70.645185 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -10.524 flat angles C4'-P-C4' energy: -16.140 flat angles P-C4'-P energy: -10.998 tors. eta vs tors. theta energy: -18.941 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: 4 ===================================== Write number: 261 Temperature: 0.950000 Total energy: -191.133385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.133385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.133385 (E_RNA) where: Base-Base interactions energy: -124.548 where: short stacking energy: -60.622 Base-Backbone interact. energy: 0.424 local terms energy: -67.009071 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -12.614 flat angles C4'-P-C4' energy: -14.109 flat angles P-C4'-P energy: -8.890 tors. eta vs tors. theta energy: -17.120 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: 6 ===================================== Write number: 261 Temperature: 1.000000 Total energy: -194.213725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.213725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.213725 (E_RNA) where: Base-Base interactions energy: -130.738 where: short stacking energy: -55.045 Base-Backbone interact. energy: -0.051 local terms energy: -63.424532 where: bonds (distance) C4'-P energy: -11.399 bonds (distance) P-C4' energy: -11.556 flat angles C4'-P-C4' energy: -14.733 flat angles P-C4'-P energy: -9.785 tors. eta vs tors. theta energy: -15.952 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 261 Temperature: 1.050000 Total energy: -175.811389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.811389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.811389 (E_RNA) where: Base-Base interactions energy: -114.286 where: short stacking energy: -57.359 Base-Backbone interact. energy: -0.698 local terms energy: -60.827990 where: bonds (distance) C4'-P energy: -13.086 bonds (distance) P-C4' energy: -12.138 flat angles C4'-P-C4' energy: -13.162 flat angles P-C4'-P energy: -9.747 tors. eta vs tors. theta energy: -12.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 261 Temperature: 1.100000 Total energy: -173.566610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.566610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.566610 (E_RNA) where: Base-Base interactions energy: -115.226 where: short stacking energy: -58.839 Base-Backbone interact. energy: -0.087 local terms energy: -58.253662 where: bonds (distance) C4'-P energy: -9.922 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -10.299 flat angles P-C4'-P energy: -5.375 tors. eta vs tors. theta energy: -18.725 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: 3 ===================================== Write number: 261 Temperature: 1.150000 Total energy: -170.726044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.726044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.726044 (E_RNA) where: Base-Base interactions energy: -108.704 where: short stacking energy: -49.543 Base-Backbone interact. energy: -0.370 local terms energy: -61.651982 where: bonds (distance) C4'-P energy: -12.652 bonds (distance) P-C4' energy: -12.948 flat angles C4'-P-C4' energy: -12.758 flat angles P-C4'-P energy: -8.857 tors. eta vs tors. theta energy: -14.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 261 Temperature: 1.200000 Total energy: -87.445972 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.445972 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.445972 (E_RNA) where: Base-Base interactions energy: -37.086 where: short stacking energy: -31.397 Base-Backbone interact. energy: -0.318 local terms energy: -50.041602 where: bonds (distance) C4'-P energy: -12.695 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -12.325 flat angles P-C4'-P energy: -10.222 tors. eta vs tors. theta energy: -1.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 261 Temperature: 1.250000 Total energy: -79.953394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.953394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.953394 (E_RNA) where: Base-Base interactions energy: -32.064 where: short stacking energy: -32.064 Base-Backbone interact. energy: -0.027 local terms energy: -47.862646 where: bonds (distance) C4'-P energy: -13.194 bonds (distance) P-C4' energy: -13.133 flat angles C4'-P-C4' energy: -10.781 flat angles P-C4'-P energy: -7.666 tors. eta vs tors. theta energy: -3.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 261 Temperature: 1.300000 Total energy: -84.186763 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.186763 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.186763 (E_RNA) where: Base-Base interactions energy: -48.341 where: short stacking energy: -34.761 Base-Backbone interact. energy: 2.888 local terms energy: -38.733746 where: bonds (distance) C4'-P energy: -10.735 bonds (distance) P-C4' energy: -6.099 flat angles C4'-P-C4' energy: -9.562 flat angles P-C4'-P energy: -9.307 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: 7 ===================================== Write number: 261 Temperature: 1.350000 Total energy: -75.492058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.492058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.492058 (E_RNA) where: Base-Base interactions energy: -28.814 where: short stacking energy: -13.960 Base-Backbone interact. energy: 0.356 local terms energy: -47.034171 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -10.108 flat angles C4'-P-C4' energy: -12.663 flat angles P-C4'-P energy: -6.981 tors. eta vs tors. theta energy: -3.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 262 Temperature: 0.900000 Total energy: -201.562522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.562522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.562522 (E_RNA) where: Base-Base interactions energy: -134.930 where: short stacking energy: -52.469 Base-Backbone interact. energy: -0.071 local terms energy: -66.561045 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -15.618 flat angles C4'-P-C4' energy: -15.817 flat angles P-C4'-P energy: -11.258 tors. eta vs tors. theta energy: -11.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 262 Temperature: 0.950000 Total energy: -197.733823 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.733823 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.733823 (E_RNA) where: Base-Base interactions energy: -126.079 where: short stacking energy: -59.864 Base-Backbone interact. energy: -0.001 local terms energy: -71.654429 where: bonds (distance) C4'-P energy: -15.981 bonds (distance) P-C4' energy: -15.328 flat angles C4'-P-C4' energy: -10.696 flat angles P-C4'-P energy: -13.187 tors. eta vs tors. theta energy: -16.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 262 Temperature: 1.000000 Total energy: -189.222569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.222569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.222569 (E_RNA) where: Base-Base interactions energy: -120.161 where: short stacking energy: -56.229 Base-Backbone interact. energy: -0.016 local terms energy: -69.046050 where: bonds (distance) C4'-P energy: -16.531 bonds (distance) P-C4' energy: -13.997 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -7.175 tors. eta vs tors. theta energy: -16.765 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 262 Temperature: 1.050000 Total energy: -182.467461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.467461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.467461 (E_RNA) where: Base-Base interactions energy: -117.723 where: short stacking energy: -58.670 Base-Backbone interact. energy: -0.036 local terms energy: -64.708580 where: bonds (distance) C4'-P energy: -10.871 bonds (distance) P-C4' energy: -16.563 flat angles C4'-P-C4' energy: -14.354 flat angles P-C4'-P energy: -8.581 tors. eta vs tors. theta energy: -14.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 262 Temperature: 1.100000 Total energy: -177.142731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.142731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.142731 (E_RNA) where: Base-Base interactions energy: -113.947 where: short stacking energy: -52.263 Base-Backbone interact. energy: -0.008 local terms energy: -63.187714 where: bonds (distance) C4'-P energy: -11.715 bonds (distance) P-C4' energy: -13.853 flat angles C4'-P-C4' energy: -11.125 flat angles P-C4'-P energy: -10.247 tors. eta vs tors. theta energy: -16.247 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: 262 Temperature: 1.150000 Total energy: -172.680734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.680734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.680734 (E_RNA) where: Base-Base interactions energy: -113.902 where: short stacking energy: -60.671 Base-Backbone interact. energy: -0.373 local terms energy: -58.405865 where: bonds (distance) C4'-P energy: -9.683 bonds (distance) P-C4' energy: -9.004 flat angles C4'-P-C4' energy: -15.681 flat angles P-C4'-P energy: -6.224 tors. eta vs tors. theta energy: -17.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 262 Temperature: 1.200000 Total energy: -88.486974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.486974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.486974 (E_RNA) where: Base-Base interactions energy: -41.415 where: short stacking energy: -28.176 Base-Backbone interact. energy: 1.809 local terms energy: -48.880642 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -12.092 flat angles C4'-P-C4' energy: -10.642 flat angles P-C4'-P energy: -8.144 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: 8, replica: 5 ===================================== Write number: 262 Temperature: 1.250000 Total energy: -74.675351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.675351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.675351 (E_RNA) where: Base-Base interactions energy: -33.443 where: short stacking energy: -25.573 Base-Backbone interact. energy: -0.171 local terms energy: -41.061625 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -11.262 flat angles C4'-P-C4' energy: -10.003 flat angles P-C4'-P energy: -5.480 tors. eta vs tors. theta energy: -1.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 262 Temperature: 1.300000 Total energy: -93.957275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.957275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.957275 (E_RNA) where: Base-Base interactions energy: -46.204 where: short stacking energy: -29.380 Base-Backbone interact. energy: -0.068 local terms energy: -47.685552 where: bonds (distance) C4'-P energy: -10.086 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -15.015 flat angles P-C4'-P energy: 1.276 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: 10, replica: 7 ===================================== Write number: 262 Temperature: 1.350000 Total energy: -78.068447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.068447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.068447 (E_RNA) where: Base-Base interactions energy: -34.263 where: short stacking energy: -34.263 Base-Backbone interact. energy: -0.025 local terms energy: -43.779995 where: bonds (distance) C4'-P energy: -10.462 bonds (distance) P-C4' energy: -11.172 flat angles C4'-P-C4' energy: -8.025 flat angles P-C4'-P energy: -7.968 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: 1, replica: 9 ===================================== Write number: 263 Temperature: 0.900000 Total energy: -208.706778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.706778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.706778 (E_RNA) where: Base-Base interactions energy: -139.756 where: short stacking energy: -64.666 Base-Backbone interact. energy: -0.017 local terms energy: -68.934541 where: bonds (distance) C4'-P energy: -10.308 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -14.931 flat angles P-C4'-P energy: -10.019 tors. eta vs tors. theta energy: -19.087 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 263 Temperature: 0.950000 Total energy: -211.592247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.592247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.592247 (E_RNA) where: Base-Base interactions energy: -140.184 where: short stacking energy: -63.287 Base-Backbone interact. energy: -0.289 local terms energy: -71.119308 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -8.412 flat angles P-C4'-P energy: -12.207 tors. eta vs tors. theta energy: -19.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 263 Temperature: 1.000000 Total energy: -183.071432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.071432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.071432 (E_RNA) where: Base-Base interactions energy: -115.218 where: short stacking energy: -59.459 Base-Backbone interact. energy: -0.230 local terms energy: -67.623942 where: bonds (distance) C4'-P energy: -15.902 bonds (distance) P-C4' energy: -12.204 flat angles C4'-P-C4' energy: -16.476 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -14.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 263 Temperature: 1.050000 Total energy: -193.646694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.646694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.646694 (E_RNA) where: Base-Base interactions energy: -130.365 where: short stacking energy: -64.163 Base-Backbone interact. energy: -0.004 local terms energy: -63.278605 where: bonds (distance) C4'-P energy: -13.545 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -10.279 flat angles P-C4'-P energy: -7.589 tors. eta vs tors. theta energy: -17.462 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: 3 ===================================== Write number: 263 Temperature: 1.100000 Total energy: -176.182931 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.182931 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.182931 (E_RNA) where: Base-Base interactions energy: -120.031 where: short stacking energy: -50.968 Base-Backbone interact. energy: -0.202 local terms energy: -55.950718 where: bonds (distance) C4'-P energy: -13.762 bonds (distance) P-C4' energy: -13.464 flat angles C4'-P-C4' energy: -10.208 flat angles P-C4'-P energy: -2.348 tors. eta vs tors. theta energy: -16.169 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: 6, replica: 2 ===================================== Write number: 263 Temperature: 1.150000 Total energy: -99.516773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -99.516773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -99.516773 (E_RNA) where: Base-Base interactions energy: -44.430 where: short stacking energy: -44.430 Base-Backbone interact. energy: -0.001 local terms energy: -55.084890 where: bonds (distance) C4'-P energy: -10.739 bonds (distance) P-C4' energy: -12.920 flat angles C4'-P-C4' energy: -12.376 flat angles P-C4'-P energy: -4.899 tors. eta vs tors. theta energy: -14.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 263 Temperature: 1.200000 Total energy: -155.529462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.529462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.529462 (E_RNA) where: Base-Base interactions energy: -95.995 where: short stacking energy: -39.840 Base-Backbone interact. energy: -0.180 local terms energy: -59.354087 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -14.015 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -11.236 tors. eta vs tors. theta energy: -8.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 263 Temperature: 1.250000 Total energy: -83.354466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.354466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.354466 (E_RNA) where: Base-Base interactions energy: -32.168 where: short stacking energy: -32.168 Base-Backbone interact. energy: -0.003 local terms energy: -51.182730 where: bonds (distance) C4'-P energy: -12.233 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -10.423 flat angles P-C4'-P energy: -9.487 tors. eta vs tors. theta energy: -6.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 263 Temperature: 1.300000 Total energy: -86.185609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.185609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.185609 (E_RNA) where: Base-Base interactions energy: -30.443 where: short stacking energy: -30.443 Base-Backbone interact. energy: 0.403 local terms energy: -56.145642 where: bonds (distance) C4'-P energy: -9.021 bonds (distance) P-C4' energy: -15.794 flat angles C4'-P-C4' energy: -14.193 flat angles P-C4'-P energy: -9.562 tors. eta vs tors. theta energy: -7.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 263 Temperature: 1.350000 Total energy: -71.916169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.916169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.916169 (E_RNA) where: Base-Base interactions energy: -26.323 where: short stacking energy: -26.323 Base-Backbone interact. energy: -0.916 local terms energy: -44.677600 where: bonds (distance) C4'-P energy: -9.112 bonds (distance) P-C4' energy: -13.141 flat angles C4'-P-C4' energy: -10.824 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -5.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 264 Temperature: 0.900000 Total energy: -209.278040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.278040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.278040 (E_RNA) where: Base-Base interactions energy: -139.104 where: short stacking energy: -64.354 Base-Backbone interact. energy: -0.042 local terms energy: -70.131983 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -12.555 flat angles C4'-P-C4' energy: -14.213 flat angles P-C4'-P energy: -12.004 tors. eta vs tors. theta energy: -16.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 264 Temperature: 0.950000 Total energy: -201.785824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.785824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.785824 (E_RNA) where: Base-Base interactions energy: -133.381 where: short stacking energy: -61.683 Base-Backbone interact. energy: -0.000 local terms energy: -68.403946 where: bonds (distance) C4'-P energy: -12.929 bonds (distance) P-C4' energy: -11.337 flat angles C4'-P-C4' energy: -16.236 flat angles P-C4'-P energy: -9.146 tors. eta vs tors. theta energy: -18.756 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: 6 ===================================== Write number: 264 Temperature: 1.000000 Total energy: -178.664074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.664074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.664074 (E_RNA) where: Base-Base interactions energy: -119.850 where: short stacking energy: -47.452 Base-Backbone interact. energy: -0.016 local terms energy: -58.798245 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -11.344 flat angles P-C4'-P energy: -9.713 tors. eta vs tors. theta energy: -9.987 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: 1 ===================================== Write number: 264 Temperature: 1.050000 Total energy: -175.290907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.290907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.290907 (E_RNA) where: Base-Base interactions energy: -123.495 where: short stacking energy: -57.485 Base-Backbone interact. energy: -0.003 local terms energy: -51.792532 where: bonds (distance) C4'-P energy: -6.285 bonds (distance) P-C4' energy: -9.813 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -8.243 tors. eta vs tors. theta energy: -14.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 264 Temperature: 1.100000 Total energy: -172.233264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.233264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.233264 (E_RNA) where: Base-Base interactions energy: -114.052 where: short stacking energy: -49.751 Base-Backbone interact. energy: -0.216 local terms energy: -57.965136 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -10.092 flat angles C4'-P-C4' energy: -13.075 flat angles P-C4'-P energy: -6.768 tors. eta vs tors. theta energy: -15.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 264 Temperature: 1.150000 Total energy: -97.989911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.989911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.989911 (E_RNA) where: Base-Base interactions energy: -43.596 where: short stacking energy: -41.232 Base-Backbone interact. energy: -0.070 local terms energy: -54.324248 where: bonds (distance) C4'-P energy: -11.829 bonds (distance) P-C4' energy: -10.775 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -10.316 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: 7, replica: 8 ===================================== Write number: 264 Temperature: 1.200000 Total energy: -163.959649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.959649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.959649 (E_RNA) where: Base-Base interactions energy: -107.887 where: short stacking energy: -46.328 Base-Backbone interact. energy: -0.101 local terms energy: -55.971614 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -11.916 flat angles P-C4'-P energy: -5.167 tors. eta vs tors. theta energy: -11.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 264 Temperature: 1.250000 Total energy: -88.735572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.735572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.735572 (E_RNA) where: Base-Base interactions energy: -37.129 where: short stacking energy: -29.082 Base-Backbone interact. energy: -0.477 local terms energy: -51.130045 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -13.179 flat angles C4'-P-C4' energy: -11.683 flat angles P-C4'-P energy: -8.934 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: 9, replica: 5 ===================================== Write number: 264 Temperature: 1.300000 Total energy: -79.433884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.433884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.433884 (E_RNA) where: Base-Base interactions energy: -28.076 where: short stacking energy: -25.514 Base-Backbone interact. energy: -0.094 local terms energy: -51.264393 where: bonds (distance) C4'-P energy: -15.483 bonds (distance) P-C4' energy: -9.489 flat angles C4'-P-C4' energy: -14.652 flat angles P-C4'-P energy: -8.313 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: 10, replica: 7 ===================================== Write number: 264 Temperature: 1.350000 Total energy: -73.430011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.430011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.430011 (E_RNA) where: Base-Base interactions energy: -27.395 where: short stacking energy: -27.395 Base-Backbone interact. energy: 1.950 local terms energy: -47.985452 where: bonds (distance) C4'-P energy: -6.148 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -11.440 flat angles P-C4'-P energy: -11.342 tors. eta vs tors. theta energy: -4.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 265 Temperature: 0.900000 Total energy: -199.508954 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.508954 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.508954 (E_RNA) where: Base-Base interactions energy: -134.211 where: short stacking energy: -59.099 Base-Backbone interact. energy: -0.784 local terms energy: -64.513410 where: bonds (distance) C4'-P energy: -8.698 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -14.726 flat angles P-C4'-P energy: -6.533 tors. eta vs tors. theta energy: -18.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 265 Temperature: 0.950000 Total energy: -185.214758 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.214758 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.214758 (E_RNA) where: Base-Base interactions energy: -114.940 where: short stacking energy: -56.195 Base-Backbone interact. energy: -0.004 local terms energy: -70.270937 where: bonds (distance) C4'-P energy: -12.313 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -11.681 tors. eta vs tors. theta energy: -18.279 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: 9 ===================================== Write number: 265 Temperature: 1.000000 Total energy: -201.518733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.518733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.518733 (E_RNA) where: Base-Base interactions energy: -137.140 where: short stacking energy: -57.460 Base-Backbone interact. energy: -0.009 local terms energy: -64.370320 where: bonds (distance) C4'-P energy: -11.568 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -15.847 flat angles P-C4'-P energy: -10.711 tors. eta vs tors. theta energy: -12.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 265 Temperature: 1.050000 Total energy: -177.040956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.040956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.040956 (E_RNA) where: Base-Base interactions energy: -116.026 where: short stacking energy: -56.642 Base-Backbone interact. energy: -0.102 local terms energy: -60.912860 where: bonds (distance) C4'-P energy: -12.054 bonds (distance) P-C4' energy: -15.071 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -8.305 tors. eta vs tors. theta energy: -11.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 265 Temperature: 1.100000 Total energy: -179.899995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.899995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.899995 (E_RNA) where: Base-Base interactions energy: -120.916 where: short stacking energy: -53.760 Base-Backbone interact. energy: -0.022 local terms energy: -58.962267 where: bonds (distance) C4'-P energy: -10.023 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -6.409 tors. eta vs tors. theta energy: -13.735 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 265 Temperature: 1.150000 Total energy: -156.731512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.731512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.731512 (E_RNA) where: Base-Base interactions energy: -102.054 where: short stacking energy: -43.150 Base-Backbone interact. energy: -0.522 local terms energy: -54.155413 where: bonds (distance) C4'-P energy: -7.941 bonds (distance) P-C4' energy: -14.223 flat angles C4'-P-C4' energy: -11.518 flat angles P-C4'-P energy: -6.704 tors. eta vs tors. theta energy: -13.769 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: 265 Temperature: 1.200000 Total energy: -128.661216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -128.661216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -128.661216 (E_RNA) where: Base-Base interactions energy: -86.302 where: short stacking energy: -44.767 Base-Backbone interact. energy: -0.027 local terms energy: -42.332437 where: bonds (distance) C4'-P energy: -11.991 bonds (distance) P-C4' energy: -6.717 flat angles C4'-P-C4' energy: -8.580 flat angles P-C4'-P energy: -8.910 tors. eta vs tors. theta energy: -6.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 265 Temperature: 1.250000 Total energy: -86.737145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.737145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.737145 (E_RNA) where: Base-Base interactions energy: -24.631 where: short stacking energy: -24.631 Base-Backbone interact. energy: -0.074 local terms energy: -62.033106 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -14.729 flat angles C4'-P-C4' energy: -14.870 flat angles P-C4'-P energy: -12.505 tors. eta vs tors. theta energy: -8.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 265 Temperature: 1.300000 Total energy: -92.303417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.303417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.303417 (E_RNA) where: Base-Base interactions energy: -42.820 where: short stacking energy: -31.463 Base-Backbone interact. energy: -0.087 local terms energy: -49.396149 where: bonds (distance) C4'-P energy: -9.580 bonds (distance) P-C4' energy: -10.165 flat angles C4'-P-C4' energy: -15.753 flat angles P-C4'-P energy: -6.320 tors. eta vs tors. theta energy: -7.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 265 Temperature: 1.350000 Total energy: -81.809214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.809214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.809214 (E_RNA) where: Base-Base interactions energy: -33.603 where: short stacking energy: -33.603 Base-Backbone interact. energy: -0.016 local terms energy: -48.190513 where: bonds (distance) C4'-P energy: -10.789 bonds (distance) P-C4' energy: -8.658 flat angles C4'-P-C4' energy: -6.562 flat angles P-C4'-P energy: -9.154 tors. eta vs tors. theta energy: -13.028 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: 1, replica: 4 ===================================== Write number: 266 Temperature: 0.900000 Total energy: -201.633114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.633114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.633114 (E_RNA) where: Base-Base interactions energy: -131.602 where: short stacking energy: -59.882 Base-Backbone interact. energy: -0.229 local terms energy: -69.802063 where: bonds (distance) C4'-P energy: -15.927 bonds (distance) P-C4' energy: -15.724 flat angles C4'-P-C4' energy: -13.186 flat angles P-C4'-P energy: -8.194 tors. eta vs tors. theta energy: -16.770 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 266 Temperature: 0.950000 Total energy: -190.317646 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.317646 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.317646 (E_RNA) where: Base-Base interactions energy: -129.669 where: short stacking energy: -59.559 Base-Backbone interact. energy: -0.086 local terms energy: -60.563369 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -11.896 flat angles C4'-P-C4' energy: -15.199 flat angles P-C4'-P energy: -10.171 tors. eta vs tors. theta energy: -11.933 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: 9 ===================================== Write number: 266 Temperature: 1.000000 Total energy: -202.564011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.564011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.564011 (E_RNA) where: Base-Base interactions energy: -135.791 where: short stacking energy: -57.122 Base-Backbone interact. energy: -0.068 local terms energy: -66.704669 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -9.355 flat angles C4'-P-C4' energy: -14.143 flat angles P-C4'-P energy: -8.789 tors. eta vs tors. theta energy: -19.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 266 Temperature: 1.050000 Total energy: -164.936101 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.936101 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.936101 (E_RNA) where: Base-Base interactions energy: -104.273 where: short stacking energy: -48.775 Base-Backbone interact. energy: -0.115 local terms energy: -60.548282 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -13.632 flat angles C4'-P-C4' energy: -14.785 flat angles P-C4'-P energy: -9.612 tors. eta vs tors. theta energy: -10.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 266 Temperature: 1.100000 Total energy: -173.787632 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.787632 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.787632 (E_RNA) where: Base-Base interactions energy: -113.843 where: short stacking energy: -56.268 Base-Backbone interact. energy: 1.185 local terms energy: -61.130338 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -11.737 flat angles C4'-P-C4' energy: -15.495 flat angles P-C4'-P energy: -9.555 tors. eta vs tors. theta energy: -12.839 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 266 Temperature: 1.150000 Total energy: -165.092296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.092296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.092296 (E_RNA) where: Base-Base interactions energy: -113.187 where: short stacking energy: -44.697 Base-Backbone interact. energy: -0.741 local terms energy: -51.164259 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -10.174 flat angles C4'-P-C4' energy: -9.550 flat angles P-C4'-P energy: -9.412 tors. eta vs tors. theta energy: -9.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 266 Temperature: 1.200000 Total energy: -113.838476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -113.838476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -113.838476 (E_RNA) where: Base-Base interactions energy: -58.414 where: short stacking energy: -39.184 Base-Backbone interact. energy: -0.064 local terms energy: -55.360005 where: bonds (distance) C4'-P energy: -11.016 bonds (distance) P-C4' energy: -13.229 flat angles C4'-P-C4' energy: -11.600 flat angles P-C4'-P energy: -10.126 tors. eta vs tors. theta energy: -9.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 266 Temperature: 1.250000 Total energy: -82.995104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.995104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.995104 (E_RNA) where: Base-Base interactions energy: -46.070 where: short stacking energy: -30.495 Base-Backbone interact. energy: 0.086 local terms energy: -37.010620 where: bonds (distance) C4'-P energy: -12.544 bonds (distance) P-C4' energy: -8.043 flat angles C4'-P-C4' energy: -10.309 flat angles P-C4'-P energy: -5.674 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: 9, replica: 7 ===================================== Write number: 266 Temperature: 1.300000 Total energy: -79.603916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.603916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.603916 (E_RNA) where: Base-Base interactions energy: -31.624 where: short stacking energy: -31.624 Base-Backbone interact. energy: 0.391 local terms energy: -48.370094 where: bonds (distance) C4'-P energy: -12.524 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -10.039 flat angles P-C4'-P energy: -5.753 tors. eta vs tors. theta energy: -4.348 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 266 Temperature: 1.350000 Total energy: -85.609293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.609293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.609293 (E_RNA) where: Base-Base interactions energy: -31.215 where: short stacking energy: -24.950 Base-Backbone interact. energy: -0.167 local terms energy: -54.227707 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -15.643 flat angles C4'-P-C4' energy: -16.143 flat angles P-C4'-P energy: -7.905 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: 4 ===================================== Write number: 267 Temperature: 0.900000 Total energy: -222.350251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -222.350251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -222.350251 (E_RNA) where: Base-Base interactions energy: -151.728 where: short stacking energy: -71.377 Base-Backbone interact. energy: -0.038 local terms energy: -70.584435 where: bonds (distance) C4'-P energy: -8.841 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -15.803 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -19.256 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: 9 ===================================== Write number: 267 Temperature: 0.950000 Total energy: -204.928760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.928760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.928760 (E_RNA) where: Base-Base interactions energy: -132.760 where: short stacking energy: -59.407 Base-Backbone interact. energy: -0.353 local terms energy: -71.816149 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -18.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 267 Temperature: 1.000000 Total energy: -185.673895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.673895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.673895 (E_RNA) where: Base-Base interactions energy: -115.762 where: short stacking energy: -60.648 Base-Backbone interact. energy: -0.042 local terms energy: -69.870333 where: bonds (distance) C4'-P energy: -16.386 bonds (distance) P-C4' energy: -13.349 flat angles C4'-P-C4' energy: -15.142 flat angles P-C4'-P energy: -6.745 tors. eta vs tors. theta energy: -18.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 267 Temperature: 1.050000 Total energy: -180.543705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.543705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.543705 (E_RNA) where: Base-Base interactions energy: -115.252 where: short stacking energy: -52.638 Base-Backbone interact. energy: -1.072 local terms energy: -64.219329 where: bonds (distance) C4'-P energy: -13.406 bonds (distance) P-C4' energy: -12.123 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -9.402 tors. eta vs tors. theta energy: -15.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 267 Temperature: 1.100000 Total energy: -177.132193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.132193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.132193 (E_RNA) where: Base-Base interactions energy: -112.528 where: short stacking energy: -45.653 Base-Backbone interact. energy: -0.003 local terms energy: -64.601372 where: bonds (distance) C4'-P energy: -16.051 bonds (distance) P-C4' energy: -14.453 flat angles C4'-P-C4' energy: -14.291 flat angles P-C4'-P energy: -8.079 tors. eta vs tors. theta energy: -11.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 267 Temperature: 1.150000 Total energy: -172.394690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.394690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.394690 (E_RNA) where: Base-Base interactions energy: -116.875 where: short stacking energy: -52.704 Base-Backbone interact. energy: -0.046 local terms energy: -55.474073 where: bonds (distance) C4'-P energy: -11.502 bonds (distance) P-C4' energy: -13.748 flat angles C4'-P-C4' energy: -14.417 flat angles P-C4'-P energy: -5.017 tors. eta vs tors. theta energy: -10.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 267 Temperature: 1.200000 Total energy: -84.905900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.905900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.905900 (E_RNA) where: Base-Base interactions energy: -42.483 where: short stacking energy: -28.274 Base-Backbone interact. energy: 0.480 local terms energy: -42.902926 where: bonds (distance) C4'-P energy: -7.829 bonds (distance) P-C4' energy: -10.883 flat angles C4'-P-C4' energy: -9.724 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -4.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 267 Temperature: 1.250000 Total energy: -80.517556 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.517556 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.517556 (E_RNA) where: Base-Base interactions energy: -36.062 where: short stacking energy: -28.604 Base-Backbone interact. energy: -0.077 local terms energy: -44.378142 where: bonds (distance) C4'-P energy: -11.389 bonds (distance) P-C4' energy: -14.737 flat angles C4'-P-C4' energy: -13.647 flat angles P-C4'-P energy: -0.455 tors. eta vs tors. theta energy: -4.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 267 Temperature: 1.300000 Total energy: -82.113693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.113693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.113693 (E_RNA) where: Base-Base interactions energy: -36.514 where: short stacking energy: -36.469 Base-Backbone interact. energy: -0.052 local terms energy: -45.547664 where: bonds (distance) C4'-P energy: -10.120 bonds (distance) P-C4' energy: -14.245 flat angles C4'-P-C4' energy: -11.791 flat angles P-C4'-P energy: -2.997 tors. eta vs tors. theta energy: -6.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 267 Temperature: 1.350000 Total energy: -74.617508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.617508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.617508 (E_RNA) where: Base-Base interactions energy: -38.134 where: short stacking energy: -21.624 Base-Backbone interact. energy: -0.096 local terms energy: -36.386600 where: bonds (distance) C4'-P energy: -9.559 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -6.501 flat angles P-C4'-P energy: -8.307 tors. eta vs tors. theta energy: -1.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 268 Temperature: 0.900000 Total energy: -221.064693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.064693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.064693 (E_RNA) where: Base-Base interactions energy: -145.162 where: short stacking energy: -66.743 Base-Backbone interact. energy: -0.643 local terms energy: -75.259475 where: bonds (distance) C4'-P energy: -15.803 bonds (distance) P-C4' energy: -13.444 flat angles C4'-P-C4' energy: -16.301 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -20.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 268 Temperature: 0.950000 Total energy: -203.077343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.077343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.077343 (E_RNA) where: Base-Base interactions energy: -132.360 where: short stacking energy: -66.819 Base-Backbone interact. energy: -0.001 local terms energy: -70.715719 where: bonds (distance) C4'-P energy: -15.446 bonds (distance) P-C4' energy: -13.630 flat angles C4'-P-C4' energy: -13.597 flat angles P-C4'-P energy: -9.987 tors. eta vs tors. theta energy: -18.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 268 Temperature: 1.000000 Total energy: -184.161477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.161477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.161477 (E_RNA) where: Base-Base interactions energy: -116.288 where: short stacking energy: -55.154 Base-Backbone interact. energy: -0.019 local terms energy: -67.854358 where: bonds (distance) C4'-P energy: -11.255 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -15.185 flat angles P-C4'-P energy: -9.186 tors. eta vs tors. theta energy: -16.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 268 Temperature: 1.050000 Total energy: -172.022472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.022472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.022472 (E_RNA) where: Base-Base interactions energy: -109.336 where: short stacking energy: -53.115 Base-Backbone interact. energy: -0.114 local terms energy: -62.572358 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -15.202 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -11.394 tors. eta vs tors. theta energy: -10.332 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: 5, replica: 1 ===================================== Write number: 268 Temperature: 1.100000 Total energy: -176.472024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.472024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.472024 (E_RNA) where: Base-Base interactions energy: -118.448 where: short stacking energy: -49.333 Base-Backbone interact. energy: -0.165 local terms energy: -57.858723 where: bonds (distance) C4'-P energy: -13.801 bonds (distance) P-C4' energy: -8.644 flat angles C4'-P-C4' energy: -14.363 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -16.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 268 Temperature: 1.150000 Total energy: -169.296641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.296641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.296641 (E_RNA) where: Base-Base interactions energy: -114.053 where: short stacking energy: -50.518 Base-Backbone interact. energy: -0.275 local terms energy: -54.968130 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -10.961 flat angles C4'-P-C4' energy: -7.987 flat angles P-C4'-P energy: -7.462 tors. eta vs tors. theta energy: -15.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 268 Temperature: 1.200000 Total energy: -81.620916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.620916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.620916 (E_RNA) where: Base-Base interactions energy: -30.606 where: short stacking energy: -21.374 Base-Backbone interact. energy: -0.176 local terms energy: -50.839286 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -12.794 flat angles C4'-P-C4' energy: -13.303 flat angles P-C4'-P energy: -10.733 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: 8, replica: 7 ===================================== Write number: 268 Temperature: 1.250000 Total energy: -86.310852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.310852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.310852 (E_RNA) where: Base-Base interactions energy: -40.876 where: short stacking energy: -28.800 Base-Backbone interact. energy: -0.400 local terms energy: -45.035255 where: bonds (distance) C4'-P energy: -10.314 bonds (distance) P-C4' energy: -8.515 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: -7.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 268 Temperature: 1.300000 Total energy: -71.687904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.687904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.687904 (E_RNA) where: Base-Base interactions energy: -30.052 where: short stacking energy: -17.605 Base-Backbone interact. energy: 0.315 local terms energy: -41.950670 where: bonds (distance) C4'-P energy: -11.955 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -12.808 flat angles P-C4'-P energy: -2.629 tors. eta vs tors. theta energy: -1.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 268 Temperature: 1.350000 Total energy: -81.317177 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.317177 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.317177 (E_RNA) where: Base-Base interactions energy: -31.493 where: short stacking energy: -31.317 Base-Backbone interact. energy: -0.093 local terms energy: -49.730899 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -13.250 flat angles C4'-P-C4' energy: -12.229 flat angles P-C4'-P energy: -8.293 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: 1, replica: 4 ===================================== Write number: 269 Temperature: 0.900000 Total energy: -210.762602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.762602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.762602 (E_RNA) where: Base-Base interactions energy: -139.115 where: short stacking energy: -67.738 Base-Backbone interact. energy: -0.000 local terms energy: -71.647000 where: bonds (distance) C4'-P energy: -12.470 bonds (distance) P-C4' energy: -15.353 flat angles C4'-P-C4' energy: -13.428 flat angles P-C4'-P energy: -9.714 tors. eta vs tors. theta energy: -20.681 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 269 Temperature: 0.950000 Total energy: -200.806930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.806930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.806930 (E_RNA) where: Base-Base interactions energy: -139.515 where: short stacking energy: -63.175 Base-Backbone interact. energy: 0.013 local terms energy: -61.305249 where: bonds (distance) C4'-P energy: -14.673 bonds (distance) P-C4' energy: -9.874 flat angles C4'-P-C4' energy: -11.195 flat angles P-C4'-P energy: -9.364 tors. eta vs tors. theta energy: -16.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 269 Temperature: 1.000000 Total energy: -186.584121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.584121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.584121 (E_RNA) where: Base-Base interactions energy: -118.144 where: short stacking energy: -58.859 Base-Backbone interact. energy: -0.012 local terms energy: -68.428179 where: bonds (distance) C4'-P energy: -15.193 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -10.798 tors. eta vs tors. theta energy: -16.136 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 269 Temperature: 1.050000 Total energy: -181.404686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.404686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.404686 (E_RNA) where: Base-Base interactions energy: -116.273 where: short stacking energy: -52.842 Base-Backbone interact. energy: -0.809 local terms energy: -64.322606 where: bonds (distance) C4'-P energy: -13.947 bonds (distance) P-C4' energy: -13.067 flat angles C4'-P-C4' energy: -16.047 flat angles P-C4'-P energy: -8.206 tors. eta vs tors. theta energy: -13.055 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: 5, replica: 6 ===================================== Write number: 269 Temperature: 1.100000 Total energy: -172.200065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.200065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.200065 (E_RNA) where: Base-Base interactions energy: -113.586 where: short stacking energy: -47.586 Base-Backbone interact. energy: 0.042 local terms energy: -58.656772 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -15.788 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -6.259 tors. eta vs tors. theta energy: -11.740 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: 3 ===================================== Write number: 269 Temperature: 1.150000 Total energy: -163.818783 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.818783 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.818783 (E_RNA) where: Base-Base interactions energy: -103.017 where: short stacking energy: -44.456 Base-Backbone interact. energy: -0.863 local terms energy: -59.938251 where: bonds (distance) C4'-P energy: -14.193 bonds (distance) P-C4' energy: -15.914 flat angles C4'-P-C4' energy: -10.151 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -12.901 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: 7, replica: 2 ===================================== Write number: 269 Temperature: 1.200000 Total energy: -94.157588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.157588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.157588 (E_RNA) where: Base-Base interactions energy: -39.633 where: short stacking energy: -39.136 Base-Backbone interact. energy: -0.091 local terms energy: -54.433329 where: bonds (distance) C4'-P energy: -13.807 bonds (distance) P-C4' energy: -11.601 flat angles C4'-P-C4' energy: -9.358 flat angles P-C4'-P energy: -9.803 tors. eta vs tors. theta energy: -9.865 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 269 Temperature: 1.250000 Total energy: -87.687372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.687372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.687372 (E_RNA) where: Base-Base interactions energy: -37.394 where: short stacking energy: -31.631 Base-Backbone interact. energy: 0.185 local terms energy: -50.477689 where: bonds (distance) C4'-P energy: -11.791 bonds (distance) P-C4' energy: -14.417 flat angles C4'-P-C4' energy: -11.542 flat angles P-C4'-P energy: -5.598 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: 9, replica: 7 ===================================== Write number: 269 Temperature: 1.300000 Total energy: -69.815898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.815898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.815898 (E_RNA) where: Base-Base interactions energy: -15.481 where: short stacking energy: -15.302 Base-Backbone interact. energy: -0.174 local terms energy: -54.160554 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -13.109 flat angles P-C4'-P energy: -10.001 tors. eta vs tors. theta energy: -3.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 269 Temperature: 1.350000 Total energy: -67.282690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.282690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.282690 (E_RNA) where: Base-Base interactions energy: -22.267 where: short stacking energy: -20.714 Base-Backbone interact. energy: -0.257 local terms energy: -44.758388 where: bonds (distance) C4'-P energy: -8.601 bonds (distance) P-C4' energy: -12.893 flat angles C4'-P-C4' energy: -13.312 flat angles P-C4'-P energy: -11.286 tors. eta vs tors. theta energy: 1.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 270 Temperature: 0.900000 Total energy: -204.142203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.142203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.142203 (E_RNA) where: Base-Base interactions energy: -136.050 where: short stacking energy: -60.715 Base-Backbone interact. energy: -0.095 local terms energy: -67.997546 where: bonds (distance) C4'-P energy: -10.214 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -16.686 flat angles P-C4'-P energy: -9.558 tors. eta vs tors. theta energy: -16.197 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 270 Temperature: 0.950000 Total energy: -206.520642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.520642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.520642 (E_RNA) where: Base-Base interactions energy: -130.706 where: short stacking energy: -64.860 Base-Backbone interact. energy: -0.010 local terms energy: -75.805124 where: bonds (distance) C4'-P energy: -11.717 bonds (distance) P-C4' energy: -16.135 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -11.659 tors. eta vs tors. theta energy: -20.480 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: 8 ===================================== Write number: 270 Temperature: 1.000000 Total energy: -186.129553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.129553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.129553 (E_RNA) where: Base-Base interactions energy: -111.723 where: short stacking energy: -51.770 Base-Backbone interact. energy: -0.833 local terms energy: -73.573990 where: bonds (distance) C4'-P energy: -14.415 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -14.088 flat angles P-C4'-P energy: -11.316 tors. eta vs tors. theta energy: -18.666 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 270 Temperature: 1.050000 Total energy: -189.940464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.940464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.940464 (E_RNA) where: Base-Base interactions energy: -131.172 where: short stacking energy: -53.504 Base-Backbone interact. energy: 0.019 local terms energy: -58.787321 where: bonds (distance) C4'-P energy: -13.227 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -14.115 flat angles P-C4'-P energy: -5.739 tors. eta vs tors. theta energy: -12.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 270 Temperature: 1.100000 Total energy: -174.893236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.893236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.893236 (E_RNA) where: Base-Base interactions energy: -109.901 where: short stacking energy: -49.613 Base-Backbone interact. energy: -0.078 local terms energy: -64.913776 where: bonds (distance) C4'-P energy: -11.448 bonds (distance) P-C4' energy: -12.868 flat angles C4'-P-C4' energy: -13.368 flat angles P-C4'-P energy: -11.546 tors. eta vs tors. theta energy: -15.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 270 Temperature: 1.150000 Total energy: -174.526904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.526904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.526904 (E_RNA) where: Base-Base interactions energy: -106.320 where: short stacking energy: -42.710 Base-Backbone interact. energy: -0.111 local terms energy: -68.095977 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -14.442 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -16.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 270 Temperature: 1.200000 Total energy: -160.446874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.446874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.446874 (E_RNA) where: Base-Base interactions energy: -108.326 where: short stacking energy: -42.811 Base-Backbone interact. energy: -0.287 local terms energy: -51.834077 where: bonds (distance) C4'-P energy: -13.377 bonds (distance) P-C4' energy: -10.334 flat angles C4'-P-C4' energy: -8.477 flat angles P-C4'-P energy: -7.649 tors. eta vs tors. theta energy: -11.997 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: 270 Temperature: 1.250000 Total energy: -79.421914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.421914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.421914 (E_RNA) where: Base-Base interactions energy: -36.213 where: short stacking energy: -36.413 Base-Backbone interact. energy: -0.085 local terms energy: -43.124143 where: bonds (distance) C4'-P energy: -5.989 bonds (distance) P-C4' energy: -16.070 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -4.996 tors. eta vs tors. theta energy: -2.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 270 Temperature: 1.300000 Total energy: -78.970271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.970271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.970271 (E_RNA) where: Base-Base interactions energy: -31.551 where: short stacking energy: -31.551 Base-Backbone interact. energy: -0.000 local terms energy: -47.418808 where: bonds (distance) C4'-P energy: -13.202 bonds (distance) P-C4' energy: -11.705 flat angles C4'-P-C4' energy: -11.701 flat angles P-C4'-P energy: -6.689 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: 10, replica: 7 ===================================== Write number: 270 Temperature: 1.350000 Total energy: -83.836236 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.836236 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.836236 (E_RNA) where: Base-Base interactions energy: -34.436 where: short stacking energy: -31.504 Base-Backbone interact. energy: -0.181 local terms energy: -49.218911 where: bonds (distance) C4'-P energy: -13.182 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -8.274 flat angles P-C4'-P energy: -8.606 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 271 Temperature: 0.900000 Total energy: -208.756648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.756648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.756648 (E_RNA) where: Base-Base interactions energy: -135.974 where: short stacking energy: -66.149 Base-Backbone interact. energy: -0.001 local terms energy: -72.782467 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -16.189 flat angles C4'-P-C4' energy: -11.477 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -21.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 271 Temperature: 0.950000 Total energy: -204.876184 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.876184 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.876184 (E_RNA) where: Base-Base interactions energy: -137.721 where: short stacking energy: -56.611 Base-Backbone interact. energy: -0.311 local terms energy: -66.844173 where: bonds (distance) C4'-P energy: -13.541 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -8.919 tors. eta vs tors. theta energy: -17.165 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 8 ===================================== Write number: 271 Temperature: 1.000000 Total energy: -175.366623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.366623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.366623 (E_RNA) where: Base-Base interactions energy: -113.477 where: short stacking energy: -47.116 Base-Backbone interact. energy: -0.644 local terms energy: -61.245943 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -8.628 tors. eta vs tors. theta energy: -11.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 271 Temperature: 1.050000 Total energy: -172.374554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.374554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.374554 (E_RNA) where: Base-Base interactions energy: -106.295 where: short stacking energy: -53.787 Base-Backbone interact. energy: -0.025 local terms energy: -66.054584 where: bonds (distance) C4'-P energy: -13.307 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -13.404 flat angles P-C4'-P energy: -10.062 tors. eta vs tors. theta energy: -14.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 271 Temperature: 1.100000 Total energy: -182.756754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.756754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.756754 (E_RNA) where: Base-Base interactions energy: -122.853 where: short stacking energy: -49.716 Base-Backbone interact. energy: -0.788 local terms energy: -59.115871 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -10.143 flat angles C4'-P-C4' energy: -13.614 flat angles P-C4'-P energy: -9.460 tors. eta vs tors. theta energy: -11.936 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: 10 ===================================== Write number: 271 Temperature: 1.150000 Total energy: -168.606476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.606476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.606476 (E_RNA) where: Base-Base interactions energy: -107.592 where: short stacking energy: -48.974 Base-Backbone interact. energy: -0.014 local terms energy: -60.999905 where: bonds (distance) C4'-P energy: -13.494 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -13.964 flat angles P-C4'-P energy: -3.805 tors. eta vs tors. theta energy: -16.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 271 Temperature: 1.200000 Total energy: -171.816822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.816822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.816822 (E_RNA) where: Base-Base interactions energy: -108.874 where: short stacking energy: -51.969 Base-Backbone interact. energy: -0.003 local terms energy: -62.939398 where: bonds (distance) C4'-P energy: -15.650 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -11.075 flat angles P-C4'-P energy: -4.537 tors. eta vs tors. theta energy: -18.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 271 Temperature: 1.250000 Total energy: -95.339346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.339346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.339346 (E_RNA) where: Base-Base interactions energy: -56.841 where: short stacking energy: -37.971 Base-Backbone interact. energy: -0.027 local terms energy: -38.471850 where: bonds (distance) C4'-P energy: -9.407 bonds (distance) P-C4' energy: -13.777 flat angles C4'-P-C4' energy: -7.318 flat angles P-C4'-P energy: -7.090 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: 9, replica: 2 ===================================== Write number: 271 Temperature: 1.300000 Total energy: -77.866613 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.866613 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.866613 (E_RNA) where: Base-Base interactions energy: -21.005 where: short stacking energy: -21.005 Base-Backbone interact. energy: -0.050 local terms energy: -56.811607 where: bonds (distance) C4'-P energy: -11.303 bonds (distance) P-C4' energy: -13.450 flat angles C4'-P-C4' energy: -14.474 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: -7.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 271 Temperature: 1.350000 Total energy: -80.571343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.571343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.571343 (E_RNA) where: Base-Base interactions energy: -34.026 where: short stacking energy: -34.026 Base-Backbone interact. energy: -0.131 local terms energy: -46.414191 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -9.360 flat angles C4'-P-C4' energy: -14.864 flat angles P-C4'-P energy: -3.491 tors. eta vs tors. theta energy: -4.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 272 Temperature: 0.900000 Total energy: -211.177453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.177453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.177453 (E_RNA) where: Base-Base interactions energy: -134.369 where: short stacking energy: -67.911 Base-Backbone interact. energy: -0.012 local terms energy: -76.796836 where: bonds (distance) C4'-P energy: -13.927 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -16.099 flat angles P-C4'-P energy: -11.555 tors. eta vs tors. theta energy: -20.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 272 Temperature: 0.950000 Total energy: -197.685507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.685507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.685507 (E_RNA) where: Base-Base interactions energy: -132.700 where: short stacking energy: -59.129 Base-Backbone interact. energy: -0.008 local terms energy: -64.977811 where: bonds (distance) C4'-P energy: -16.407 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -12.329 flat angles P-C4'-P energy: -6.861 tors. eta vs tors. theta energy: -15.454 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: 272 Temperature: 1.000000 Total energy: -181.537452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.537452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.537452 (E_RNA) where: Base-Base interactions energy: -121.194 where: short stacking energy: -55.852 Base-Backbone interact. energy: -0.008 local terms energy: -60.335281 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -10.838 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -8.355 tors. eta vs tors. theta energy: -15.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 272 Temperature: 1.050000 Total energy: -178.356083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.356083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.356083 (E_RNA) where: Base-Base interactions energy: -115.949 where: short stacking energy: -56.844 Base-Backbone interact. energy: -0.126 local terms energy: -62.281117 where: bonds (distance) C4'-P energy: -12.507 bonds (distance) P-C4' energy: -10.609 flat angles C4'-P-C4' energy: -16.306 flat angles P-C4'-P energy: -9.391 tors. eta vs tors. theta energy: -13.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 272 Temperature: 1.100000 Total energy: -185.372580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.372580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.372580 (E_RNA) where: Base-Base interactions energy: -126.288 where: short stacking energy: -51.548 Base-Backbone interact. energy: -0.108 local terms energy: -58.976449 where: bonds (distance) C4'-P energy: -12.226 bonds (distance) P-C4' energy: -11.300 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -11.427 tors. eta vs tors. theta energy: -12.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 272 Temperature: 1.150000 Total energy: -198.154987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.154987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.154987 (E_RNA) where: Base-Base interactions energy: -133.415 where: short stacking energy: -53.132 Base-Backbone interact. energy: 1.583 local terms energy: -66.322887 where: bonds (distance) C4'-P energy: -14.416 bonds (distance) P-C4' energy: -11.190 flat angles C4'-P-C4' energy: -12.876 flat angles P-C4'-P energy: -13.269 tors. eta vs tors. theta energy: -14.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 272 Temperature: 1.200000 Total energy: -165.492982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.492982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.492982 (E_RNA) where: Base-Base interactions energy: -113.385 where: short stacking energy: -48.160 Base-Backbone interact. energy: -0.789 local terms energy: -51.319104 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -10.532 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -4.759 tors. eta vs tors. theta energy: -12.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 272 Temperature: 1.250000 Total energy: -83.771523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.771523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.771523 (E_RNA) where: Base-Base interactions energy: -30.871 where: short stacking energy: -29.956 Base-Backbone interact. energy: -0.152 local terms energy: -52.747755 where: bonds (distance) C4'-P energy: -11.841 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -13.528 flat angles P-C4'-P energy: -8.853 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: 9, replica: 7 ===================================== Write number: 272 Temperature: 1.300000 Total energy: -79.777065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.777065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.777065 (E_RNA) where: Base-Base interactions energy: -35.569 where: short stacking energy: -31.991 Base-Backbone interact. energy: 0.707 local terms energy: -44.914763 where: bonds (distance) C4'-P energy: -11.531 bonds (distance) P-C4' energy: -13.132 flat angles C4'-P-C4' energy: -9.848 flat angles P-C4'-P energy: -4.553 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: 10, replica: 2 ===================================== Write number: 272 Temperature: 1.350000 Total energy: -75.032737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.032737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.032737 (E_RNA) where: Base-Base interactions energy: -28.124 where: short stacking energy: -25.296 Base-Backbone interact. energy: -0.163 local terms energy: -46.745910 where: bonds (distance) C4'-P energy: -11.305 bonds (distance) P-C4' energy: -11.007 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -6.293 tors. eta vs tors. theta energy: -5.842 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: 4 ===================================== Write number: 273 Temperature: 0.900000 Total energy: -213.432181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.432181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.432181 (E_RNA) where: Base-Base interactions energy: -140.492 where: short stacking energy: -65.533 Base-Backbone interact. energy: -0.004 local terms energy: -72.935925 where: bonds (distance) C4'-P energy: -13.186 bonds (distance) P-C4' energy: -15.523 flat angles C4'-P-C4' energy: -14.131 flat angles P-C4'-P energy: -11.452 tors. eta vs tors. theta energy: -18.644 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 273 Temperature: 0.950000 Total energy: -188.471345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.471345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.471345 (E_RNA) where: Base-Base interactions energy: -121.740 where: short stacking energy: -57.819 Base-Backbone interact. energy: -0.005 local terms energy: -66.726651 where: bonds (distance) C4'-P energy: -13.865 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -14.868 flat angles P-C4'-P energy: -6.729 tors. eta vs tors. theta energy: -14.825 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: 3, replica: 9 ===================================== Write number: 273 Temperature: 1.000000 Total energy: -201.700453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.700453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.700453 (E_RNA) where: Base-Base interactions energy: -134.126 where: short stacking energy: -60.598 Base-Backbone interact. energy: -0.070 local terms energy: -67.504665 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -13.010 flat angles P-C4'-P energy: -9.343 tors. eta vs tors. theta energy: -16.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 273 Temperature: 1.050000 Total energy: -181.314833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.314833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.314833 (E_RNA) where: Base-Base interactions energy: -124.349 where: short stacking energy: -52.693 Base-Backbone interact. energy: -0.516 local terms energy: -56.449182 where: bonds (distance) C4'-P energy: -13.186 bonds (distance) P-C4' energy: -13.098 flat angles C4'-P-C4' energy: -10.517 flat angles P-C4'-P energy: -7.933 tors. eta vs tors. theta energy: -11.716 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 273 Temperature: 1.100000 Total energy: -173.845659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.845659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.845659 (E_RNA) where: Base-Base interactions energy: -105.376 where: short stacking energy: -49.881 Base-Backbone interact. energy: -0.011 local terms energy: -68.458736 where: bonds (distance) C4'-P energy: -13.638 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -12.415 tors. eta vs tors. theta energy: -12.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 273 Temperature: 1.150000 Total energy: -159.534429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.534429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.534429 (E_RNA) where: Base-Base interactions energy: -100.959 where: short stacking energy: -50.500 Base-Backbone interact. energy: -0.424 local terms energy: -58.151452 where: bonds (distance) C4'-P energy: -12.082 bonds (distance) P-C4' energy: -10.847 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -10.214 tors. eta vs tors. theta energy: -11.808 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 273 Temperature: 1.200000 Total energy: -173.496881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.496881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.496881 (E_RNA) where: Base-Base interactions energy: -115.088 where: short stacking energy: -56.829 Base-Backbone interact. energy: -0.036 local terms energy: -58.372289 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -11.170 flat angles P-C4'-P energy: -7.723 tors. eta vs tors. theta energy: -15.830 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: 273 Temperature: 1.250000 Total energy: -73.486112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.486112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.486112 (E_RNA) where: Base-Base interactions energy: -27.379 where: short stacking energy: -26.718 Base-Backbone interact. energy: 0.992 local terms energy: -47.099343 where: bonds (distance) C4'-P energy: -13.253 bonds (distance) P-C4' energy: -12.221 flat angles C4'-P-C4' energy: -10.142 flat angles P-C4'-P energy: -10.122 tors. eta vs tors. theta energy: -1.361 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 273 Temperature: 1.300000 Total energy: -70.771692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.771692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.771692 (E_RNA) where: Base-Base interactions energy: -24.011 where: short stacking energy: -24.011 Base-Backbone interact. energy: -0.147 local terms energy: -46.613484 where: bonds (distance) C4'-P energy: -10.636 bonds (distance) P-C4' energy: -11.793 flat angles C4'-P-C4' energy: -8.387 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 273 Temperature: 1.350000 Total energy: -79.970940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.970940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.970940 (E_RNA) where: Base-Base interactions energy: -30.067 where: short stacking energy: -30.067 Base-Backbone interact. energy: -0.021 local terms energy: -49.882697 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -12.587 flat angles C4'-P-C4' energy: -12.527 flat angles P-C4'-P energy: -4.450 tors. eta vs tors. theta energy: -7.667 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 274 Temperature: 0.900000 Total energy: -215.483751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.483751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.483751 (E_RNA) where: Base-Base interactions energy: -142.164 where: short stacking energy: -64.564 Base-Backbone interact. energy: -0.014 local terms energy: -73.305075 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -15.981 flat angles C4'-P-C4' energy: -13.680 flat angles P-C4'-P energy: -9.645 tors. eta vs tors. theta energy: -18.763 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: 6 ===================================== Write number: 274 Temperature: 0.950000 Total energy: -189.393970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.393970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.393970 (E_RNA) where: Base-Base interactions energy: -120.848 where: short stacking energy: -51.491 Base-Backbone interact. energy: -0.108 local terms energy: -68.438033 where: bonds (distance) C4'-P energy: -13.460 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -15.097 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -17.324 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: 274 Temperature: 1.000000 Total energy: -214.779836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.779836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.779836 (E_RNA) where: Base-Base interactions energy: -144.761 where: short stacking energy: -65.968 Base-Backbone interact. energy: -0.033 local terms energy: -69.985973 where: bonds (distance) C4'-P energy: -11.048 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -13.648 flat angles P-C4'-P energy: -10.820 tors. eta vs tors. theta energy: -18.950 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: 1 ===================================== Write number: 274 Temperature: 1.050000 Total energy: -199.555178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.555178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.555178 (E_RNA) where: Base-Base interactions energy: -136.952 where: short stacking energy: -59.535 Base-Backbone interact. energy: -0.395 local terms energy: -62.208398 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -12.807 flat angles C4'-P-C4' energy: -13.576 flat angles P-C4'-P energy: -10.948 tors. eta vs tors. theta energy: -12.788 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 274 Temperature: 1.100000 Total energy: -167.016985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.016985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.016985 (E_RNA) where: Base-Base interactions energy: -106.066 where: short stacking energy: -51.516 Base-Backbone interact. energy: -0.626 local terms energy: -60.324502 where: bonds (distance) C4'-P energy: -12.727 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -10.152 flat angles P-C4'-P energy: -5.380 tors. eta vs tors. theta energy: -16.486 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 274 Temperature: 1.150000 Total energy: -158.621364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.621364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.621364 (E_RNA) where: Base-Base interactions energy: -99.473 where: short stacking energy: -42.405 Base-Backbone interact. energy: -0.008 local terms energy: -59.139888 where: bonds (distance) C4'-P energy: -10.569 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -12.631 flat angles P-C4'-P energy: -9.032 tors. eta vs tors. theta energy: -10.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 274 Temperature: 1.200000 Total energy: -171.531610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.531610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.531610 (E_RNA) where: Base-Base interactions energy: -113.780 where: short stacking energy: -50.222 Base-Backbone interact. energy: -0.009 local terms energy: -57.742616 where: bonds (distance) C4'-P energy: -14.308 bonds (distance) P-C4' energy: -11.376 flat angles C4'-P-C4' energy: -11.888 flat angles P-C4'-P energy: -8.080 tors. eta vs tors. theta energy: -12.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 274 Temperature: 1.250000 Total energy: -97.768076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.768076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.768076 (E_RNA) where: Base-Base interactions energy: -50.059 where: short stacking energy: -37.359 Base-Backbone interact. energy: -0.088 local terms energy: -47.620767 where: bonds (distance) C4'-P energy: -8.827 bonds (distance) P-C4' energy: -13.046 flat angles C4'-P-C4' energy: -11.124 flat angles P-C4'-P energy: -8.568 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: 9, replica: 2 ===================================== Write number: 274 Temperature: 1.300000 Total energy: -82.810853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.810853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.810853 (E_RNA) where: Base-Base interactions energy: -39.090 where: short stacking energy: -28.616 Base-Backbone interact. energy: 0.495 local terms energy: -44.216129 where: bonds (distance) C4'-P energy: -12.088 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -9.619 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: 0.915 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 274 Temperature: 1.350000 Total energy: -70.855912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.855912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.855912 (E_RNA) where: Base-Base interactions energy: -28.402 where: short stacking energy: -16.530 Base-Backbone interact. energy: -0.101 local terms energy: -42.352916 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -10.598 flat angles C4'-P-C4' energy: -7.921 flat angles P-C4'-P energy: -6.894 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: 1, replica: 4 ===================================== Write number: 275 Temperature: 0.900000 Total energy: -209.968074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.968074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.968074 (E_RNA) where: Base-Base interactions energy: -141.852 where: short stacking energy: -60.007 Base-Backbone interact. energy: -0.093 local terms energy: -68.022815 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -14.921 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -16.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 275 Temperature: 0.950000 Total energy: -207.396929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.396929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.396929 (E_RNA) where: Base-Base interactions energy: -137.997 where: short stacking energy: -63.012 Base-Backbone interact. energy: 0.010 local terms energy: -69.410424 where: bonds (distance) C4'-P energy: -13.762 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -15.363 flat angles P-C4'-P energy: -7.997 tors. eta vs tors. theta energy: -16.536 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 275 Temperature: 1.000000 Total energy: -189.577213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.577213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.577213 (E_RNA) where: Base-Base interactions energy: -127.712 where: short stacking energy: -59.346 Base-Backbone interact. energy: -0.084 local terms energy: -61.781025 where: bonds (distance) C4'-P energy: -13.724 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -13.767 flat angles P-C4'-P energy: -6.846 tors. eta vs tors. theta energy: -12.397 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 275 Temperature: 1.050000 Total energy: -197.031370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.031370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.031370 (E_RNA) where: Base-Base interactions energy: -130.160 where: short stacking energy: -60.659 Base-Backbone interact. energy: -0.756 local terms energy: -66.114999 where: bonds (distance) C4'-P energy: -10.596 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -12.230 flat angles P-C4'-P energy: -12.742 tors. eta vs tors. theta energy: -15.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 275 Temperature: 1.100000 Total energy: -176.335617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.335617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.335617 (E_RNA) where: Base-Base interactions energy: -119.007 where: short stacking energy: -54.399 Base-Backbone interact. energy: -0.001 local terms energy: -57.327585 where: bonds (distance) C4'-P energy: -7.730 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -9.658 flat angles P-C4'-P energy: -9.440 tors. eta vs tors. theta energy: -16.073 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: 10 ===================================== Write number: 275 Temperature: 1.150000 Total energy: -176.996738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.996738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.996738 (E_RNA) where: Base-Base interactions energy: -119.046 where: short stacking energy: -47.379 Base-Backbone interact. energy: -0.126 local terms energy: -57.825297 where: bonds (distance) C4'-P energy: -10.217 bonds (distance) P-C4' energy: -16.365 flat angles C4'-P-C4' energy: -13.917 flat angles P-C4'-P energy: -3.758 tors. eta vs tors. theta energy: -13.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 275 Temperature: 1.200000 Total energy: -167.472604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.472604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.472604 (E_RNA) where: Base-Base interactions energy: -111.740 where: short stacking energy: -58.434 Base-Backbone interact. energy: -0.148 local terms energy: -55.584438 where: bonds (distance) C4'-P energy: -11.778 bonds (distance) P-C4' energy: -8.486 flat angles C4'-P-C4' energy: -13.029 flat angles P-C4'-P energy: -10.577 tors. eta vs tors. theta energy: -11.715 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 275 Temperature: 1.250000 Total energy: -83.890181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.890181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.890181 (E_RNA) where: Base-Base interactions energy: -38.370 where: short stacking energy: -35.662 Base-Backbone interact. energy: -0.040 local terms energy: -45.480223 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -9.775 flat angles C4'-P-C4' energy: -11.112 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -3.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 275 Temperature: 1.300000 Total energy: -81.801735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.801735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.801735 (E_RNA) where: Base-Base interactions energy: -35.411 where: short stacking energy: -31.878 Base-Backbone interact. energy: 1.005 local terms energy: -47.395557 where: bonds (distance) C4'-P energy: -10.752 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -13.190 flat angles P-C4'-P energy: -7.424 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: 10, replica: 5 ===================================== Write number: 275 Temperature: 1.350000 Total energy: -75.807317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.807317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.807317 (E_RNA) where: Base-Base interactions energy: -26.455 where: short stacking energy: -26.455 Base-Backbone interact. energy: -0.040 local terms energy: -49.312317 where: bonds (distance) C4'-P energy: -14.871 bonds (distance) P-C4' energy: -10.966 flat angles C4'-P-C4' energy: -11.406 flat angles P-C4'-P energy: -8.614 tors. eta vs tors. theta energy: -3.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 276 Temperature: 0.900000 Total energy: -208.303372 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.303372 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.303372 (E_RNA) where: Base-Base interactions energy: -139.594 where: short stacking energy: -62.210 Base-Backbone interact. energy: -0.017 local terms energy: -68.692158 where: bonds (distance) C4'-P energy: -14.142 bonds (distance) P-C4' energy: -14.045 flat angles C4'-P-C4' energy: -13.417 flat angles P-C4'-P energy: -9.159 tors. eta vs tors. theta energy: -17.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 276 Temperature: 0.950000 Total energy: -207.201228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.201228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.201228 (E_RNA) where: Base-Base interactions energy: -135.414 where: short stacking energy: -67.921 Base-Backbone interact. energy: -0.051 local terms energy: -71.736028 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -9.111 tors. eta vs tors. theta energy: -18.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 276 Temperature: 1.000000 Total energy: -192.225387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.225387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.225387 (E_RNA) where: Base-Base interactions energy: -123.861 where: short stacking energy: -54.892 Base-Backbone interact. energy: -0.368 local terms energy: -67.996435 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -11.807 flat angles C4'-P-C4' energy: -16.963 flat angles P-C4'-P energy: -11.643 tors. eta vs tors. theta energy: -12.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 276 Temperature: 1.050000 Total energy: -182.253780 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.253780 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.253780 (E_RNA) where: Base-Base interactions energy: -124.420 where: short stacking energy: -51.099 Base-Backbone interact. energy: 0.171 local terms energy: -58.004909 where: bonds (distance) C4'-P energy: -12.084 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -6.263 flat angles P-C4'-P energy: -11.418 tors. eta vs tors. theta energy: -13.801 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: 10 ===================================== Write number: 276 Temperature: 1.100000 Total energy: -191.385317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.385317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.385317 (E_RNA) where: Base-Base interactions energy: -129.979 where: short stacking energy: -55.002 Base-Backbone interact. energy: -0.604 local terms energy: -60.803007 where: bonds (distance) C4'-P energy: -9.678 bonds (distance) P-C4' energy: -10.183 flat angles C4'-P-C4' energy: -15.306 flat angles P-C4'-P energy: -9.569 tors. eta vs tors. theta energy: -16.066 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 276 Temperature: 1.150000 Total energy: -183.501264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.501264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.501264 (E_RNA) where: Base-Base interactions energy: -114.438 where: short stacking energy: -50.603 Base-Backbone interact. energy: -0.087 local terms energy: -68.976265 where: bonds (distance) C4'-P energy: -15.778 bonds (distance) P-C4' energy: -9.717 flat angles C4'-P-C4' energy: -15.303 flat angles P-C4'-P energy: -13.171 tors. eta vs tors. theta energy: -15.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 276 Temperature: 1.200000 Total energy: -150.525168 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -150.525168 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -150.525168 (E_RNA) where: Base-Base interactions energy: -103.984 where: short stacking energy: -48.362 Base-Backbone interact. energy: 0.906 local terms energy: -47.446899 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -9.130 flat angles C4'-P-C4' energy: -12.491 flat angles P-C4'-P energy: -4.680 tors. eta vs tors. theta energy: -7.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 276 Temperature: 1.250000 Total energy: -125.858714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -125.858714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -125.858714 (E_RNA) where: Base-Base interactions energy: -82.758 where: short stacking energy: -47.243 Base-Backbone interact. energy: -0.767 local terms energy: -42.333899 where: bonds (distance) C4'-P energy: -9.695 bonds (distance) P-C4' energy: -15.524 flat angles C4'-P-C4' energy: -10.062 flat angles P-C4'-P energy: 4.415 tors. eta vs tors. theta energy: -11.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 276 Temperature: 1.300000 Total energy: -78.486357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.486357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.486357 (E_RNA) where: Base-Base interactions energy: -25.071 where: short stacking energy: -25.071 Base-Backbone interact. energy: -0.398 local terms energy: -53.017818 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -15.177 flat angles C4'-P-C4' energy: -12.265 flat angles P-C4'-P energy: -10.344 tors. eta vs tors. theta energy: -0.281 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 276 Temperature: 1.350000 Total energy: -70.608662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.608662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.608662 (E_RNA) where: Base-Base interactions energy: -25.820 where: short stacking energy: -20.849 Base-Backbone interact. energy: -0.296 local terms energy: -44.492523 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -10.898 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -5.659 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: 1, replica: 4 ===================================== Write number: 277 Temperature: 0.900000 Total energy: -209.461841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.461841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.461841 (E_RNA) where: Base-Base interactions energy: -136.447 where: short stacking energy: -64.328 Base-Backbone interact. energy: -0.041 local terms energy: -72.974341 where: bonds (distance) C4'-P energy: -14.292 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -16.495 flat angles P-C4'-P energy: -11.939 tors. eta vs tors. theta energy: -18.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 277 Temperature: 0.950000 Total energy: -207.059586 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.059586 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.059586 (E_RNA) where: Base-Base interactions energy: -135.169 where: short stacking energy: -59.117 Base-Backbone interact. energy: -0.000 local terms energy: -71.890648 where: bonds (distance) C4'-P energy: -13.398 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -13.664 flat angles P-C4'-P energy: -11.313 tors. eta vs tors. theta energy: -18.158 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: 3, replica: 1 ===================================== Write number: 277 Temperature: 1.000000 Total energy: -189.686119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.686119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.686119 (E_RNA) where: Base-Base interactions energy: -126.312 where: short stacking energy: -60.517 Base-Backbone interact. energy: -0.029 local terms energy: -63.345017 where: bonds (distance) C4'-P energy: -14.303 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -12.883 flat angles P-C4'-P energy: -8.083 tors. eta vs tors. theta energy: -14.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 277 Temperature: 1.050000 Total energy: -204.695195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.695195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.695195 (E_RNA) where: Base-Base interactions energy: -133.876 where: short stacking energy: -60.510 Base-Backbone interact. energy: -0.055 local terms energy: -70.763833 where: bonds (distance) C4'-P energy: -12.750 bonds (distance) P-C4' energy: -13.341 flat angles C4'-P-C4' energy: -14.834 flat angles P-C4'-P energy: -9.420 tors. eta vs tors. theta energy: -20.419 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: 6 ===================================== Write number: 277 Temperature: 1.100000 Total energy: -167.967869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.967869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.967869 (E_RNA) where: Base-Base interactions energy: -101.872 where: short stacking energy: -48.812 Base-Backbone interact. energy: -0.117 local terms energy: -65.979753 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -15.321 flat angles C4'-P-C4' energy: -14.183 flat angles P-C4'-P energy: -9.048 tors. eta vs tors. theta energy: -13.471 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: 277 Temperature: 1.150000 Total energy: -155.048655 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.048655 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.048655 (E_RNA) where: Base-Base interactions energy: -102.356 where: short stacking energy: -47.823 Base-Backbone interact. energy: -0.130 local terms energy: -52.562549 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -2.042 tors. eta vs tors. theta energy: -11.538 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: 7, replica: 8 ===================================== Write number: 277 Temperature: 1.200000 Total energy: -171.550974 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.550974 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.550974 (E_RNA) where: Base-Base interactions energy: -114.852 where: short stacking energy: -54.716 Base-Backbone interact. energy: -0.002 local terms energy: -56.696422 where: bonds (distance) C4'-P energy: -15.331 bonds (distance) P-C4' energy: -14.760 flat angles C4'-P-C4' energy: -10.578 flat angles P-C4'-P energy: -6.105 tors. eta vs tors. theta energy: -9.922 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 277 Temperature: 1.250000 Total energy: -121.703235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -121.703235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -121.703235 (E_RNA) where: Base-Base interactions energy: -65.338 where: short stacking energy: -39.282 Base-Backbone interact. energy: -0.239 local terms energy: -56.126497 where: bonds (distance) C4'-P energy: -12.892 bonds (distance) P-C4' energy: -14.904 flat angles C4'-P-C4' energy: -9.438 flat angles P-C4'-P energy: -7.886 tors. eta vs tors. theta energy: -11.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 277 Temperature: 1.300000 Total energy: -84.054676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.054676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.054676 (E_RNA) where: Base-Base interactions energy: -38.456 where: short stacking energy: -38.456 Base-Backbone interact. energy: -0.486 local terms energy: -45.112924 where: bonds (distance) C4'-P energy: -8.664 bonds (distance) P-C4' energy: -12.873 flat angles C4'-P-C4' energy: -10.717 flat angles P-C4'-P energy: -9.456 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: 10, replica: 7 ===================================== Write number: 277 Temperature: 1.350000 Total energy: -71.029024 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.029024 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.029024 (E_RNA) where: Base-Base interactions energy: -22.034 where: short stacking energy: -18.201 Base-Backbone interact. energy: -0.231 local terms energy: -48.764206 where: bonds (distance) C4'-P energy: -10.963 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -1.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 278 Temperature: 0.900000 Total energy: -211.924994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.924994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.924994 (E_RNA) where: Base-Base interactions energy: -140.770 where: short stacking energy: -66.430 Base-Backbone interact. energy: -0.285 local terms energy: -70.870025 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -10.956 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -13.802 tors. eta vs tors. theta energy: -17.995 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: 9 ===================================== Write number: 278 Temperature: 0.950000 Total energy: -198.889878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.889878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.889878 (E_RNA) where: Base-Base interactions energy: -129.979 where: short stacking energy: -57.578 Base-Backbone interact. energy: -0.000 local terms energy: -68.910679 where: bonds (distance) C4'-P energy: -15.252 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -12.279 flat angles P-C4'-P energy: -11.482 tors. eta vs tors. theta energy: -16.630 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 278 Temperature: 1.000000 Total energy: -192.875391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.875391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.875391 (E_RNA) where: Base-Base interactions energy: -129.096 where: short stacking energy: -52.905 Base-Backbone interact. energy: -0.365 local terms energy: -63.415147 where: bonds (distance) C4'-P energy: -12.354 bonds (distance) P-C4' energy: -12.595 flat angles C4'-P-C4' energy: -11.122 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -18.292 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: 1 ===================================== Write number: 278 Temperature: 1.050000 Total energy: -184.304957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.304957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.304957 (E_RNA) where: Base-Base interactions energy: -118.791 where: short stacking energy: -52.126 Base-Backbone interact. energy: -0.013 local terms energy: -65.500892 where: bonds (distance) C4'-P energy: -13.823 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -15.905 flat angles P-C4'-P energy: -8.600 tors. eta vs tors. theta energy: -12.594 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: 5, replica: 6 ===================================== Write number: 278 Temperature: 1.100000 Total energy: -169.359141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.359141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.359141 (E_RNA) where: Base-Base interactions energy: -107.375 where: short stacking energy: -47.342 Base-Backbone interact. energy: -0.059 local terms energy: -61.924754 where: bonds (distance) C4'-P energy: -16.365 bonds (distance) P-C4' energy: -14.091 flat angles C4'-P-C4' energy: -12.945 flat angles P-C4'-P energy: -7.451 tors. eta vs tors. theta energy: -11.073 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: 3 ===================================== Write number: 278 Temperature: 1.150000 Total energy: -175.978956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.978956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.978956 (E_RNA) where: Base-Base interactions energy: -114.721 where: short stacking energy: -41.285 Base-Backbone interact. energy: 0.421 local terms energy: -61.678822 where: bonds (distance) C4'-P energy: -13.352 bonds (distance) P-C4' energy: -12.611 flat angles C4'-P-C4' energy: -15.320 flat angles P-C4'-P energy: -10.112 tors. eta vs tors. theta energy: -10.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 278 Temperature: 1.200000 Total energy: -161.116446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.116446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.116446 (E_RNA) where: Base-Base interactions energy: -102.883 where: short stacking energy: -41.138 Base-Backbone interact. energy: 0.310 local terms energy: -58.543188 where: bonds (distance) C4'-P energy: -10.057 bonds (distance) P-C4' energy: -15.103 flat angles C4'-P-C4' energy: -10.903 flat angles P-C4'-P energy: -8.467 tors. eta vs tors. theta energy: -14.013 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: 8, replica: 2 ===================================== Write number: 278 Temperature: 1.250000 Total energy: -72.249588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.249588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.249588 (E_RNA) where: Base-Base interactions energy: -38.267 where: short stacking energy: -27.896 Base-Backbone interact. energy: 3.226 local terms energy: -37.208505 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -12.207 flat angles C4'-P-C4' energy: -9.345 flat angles P-C4'-P energy: -4.859 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: 9, replica: 5 ===================================== Write number: 278 Temperature: 1.300000 Total energy: -69.372078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.372078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.372078 (E_RNA) where: Base-Base interactions energy: -17.363 where: short stacking energy: -17.363 Base-Backbone interact. energy: -0.104 local terms energy: -51.904888 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -14.234 flat angles C4'-P-C4' energy: -13.114 flat angles P-C4'-P energy: -12.608 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: 7 ===================================== Write number: 278 Temperature: 1.350000 Total energy: -72.100911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.100911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.100911 (E_RNA) where: Base-Base interactions energy: -20.091 where: short stacking energy: -19.744 Base-Backbone interact. energy: -0.117 local terms energy: -51.893349 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -15.991 flat angles C4'-P-C4' energy: -11.840 flat angles P-C4'-P energy: -6.362 tors. eta vs tors. theta energy: -3.302 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: 4 ===================================== Write number: 279 Temperature: 0.900000 Total energy: -206.860090 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.860090 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.860090 (E_RNA) where: Base-Base interactions energy: -136.819 where: short stacking energy: -67.393 Base-Backbone interact. energy: -0.000 local terms energy: -70.040618 where: bonds (distance) C4'-P energy: -11.436 bonds (distance) P-C4' energy: -13.220 flat angles C4'-P-C4' energy: -13.994 flat angles P-C4'-P energy: -11.300 tors. eta vs tors. theta energy: -20.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 279 Temperature: 0.950000 Total energy: -209.166142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.166142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.166142 (E_RNA) where: Base-Base interactions energy: -135.666 where: short stacking energy: -63.411 Base-Backbone interact. energy: -0.000 local terms energy: -73.500011 where: bonds (distance) C4'-P energy: -13.845 bonds (distance) P-C4' energy: -14.719 flat angles C4'-P-C4' energy: -16.343 flat angles P-C4'-P energy: -8.657 tors. eta vs tors. theta energy: -19.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 279 Temperature: 1.000000 Total energy: -203.685041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.685041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.685041 (E_RNA) where: Base-Base interactions energy: -134.230 where: short stacking energy: -68.752 Base-Backbone interact. energy: -0.002 local terms energy: -69.453642 where: bonds (distance) C4'-P energy: -12.528 bonds (distance) P-C4' energy: -12.784 flat angles C4'-P-C4' energy: -15.031 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -19.618 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: 6 ===================================== Write number: 279 Temperature: 1.050000 Total energy: -177.108218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.108218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.108218 (E_RNA) where: Base-Base interactions energy: -110.581 where: short stacking energy: -45.126 Base-Backbone interact. energy: -0.645 local terms energy: -65.881772 where: bonds (distance) C4'-P energy: -12.852 bonds (distance) P-C4' energy: -17.091 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -5.080 tors. eta vs tors. theta energy: -17.081 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 279 Temperature: 1.100000 Total energy: -181.805368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.805368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.805368 (E_RNA) where: Base-Base interactions energy: -117.007 where: short stacking energy: -52.546 Base-Backbone interact. energy: -0.084 local terms energy: -64.714206 where: bonds (distance) C4'-P energy: -15.508 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -13.673 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: -13.498 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: 3 ===================================== Write number: 279 Temperature: 1.150000 Total energy: -174.427656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.427656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.427656 (E_RNA) where: Base-Base interactions energy: -120.246 where: short stacking energy: -43.046 Base-Backbone interact. energy: -0.280 local terms energy: -53.902172 where: bonds (distance) C4'-P energy: -6.468 bonds (distance) P-C4' energy: -14.399 flat angles C4'-P-C4' energy: -12.366 flat angles P-C4'-P energy: -8.490 tors. eta vs tors. theta energy: -12.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 279 Temperature: 1.200000 Total energy: -166.674690 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.674690 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.674690 (E_RNA) where: Base-Base interactions energy: -108.571 where: short stacking energy: -52.946 Base-Backbone interact. energy: -0.032 local terms energy: -58.071963 where: bonds (distance) C4'-P energy: -12.594 bonds (distance) P-C4' energy: -10.433 flat angles C4'-P-C4' energy: -11.293 flat angles P-C4'-P energy: -8.272 tors. eta vs tors. theta energy: -15.480 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 279 Temperature: 1.250000 Total energy: -89.481334 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.481334 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.481334 (E_RNA) where: Base-Base interactions energy: -37.530 where: short stacking energy: -31.220 Base-Backbone interact. energy: -0.005 local terms energy: -51.946518 where: bonds (distance) C4'-P energy: -15.733 bonds (distance) P-C4' energy: -13.479 flat angles C4'-P-C4' energy: -11.168 flat angles P-C4'-P energy: -6.568 tors. eta vs tors. theta energy: -4.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 279 Temperature: 1.300000 Total energy: -72.907751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.907751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.907751 (E_RNA) where: Base-Base interactions energy: -24.188 where: short stacking energy: -24.188 Base-Backbone interact. energy: -0.173 local terms energy: -48.545855 where: bonds (distance) C4'-P energy: -9.853 bonds (distance) P-C4' energy: -13.387 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -4.416 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: 10, replica: 7 ===================================== Write number: 279 Temperature: 1.350000 Total energy: -71.219400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.219400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.219400 (E_RNA) where: Base-Base interactions energy: -32.299 where: short stacking energy: -26.884 Base-Backbone interact. energy: -0.116 local terms energy: -38.804827 where: bonds (distance) C4'-P energy: -14.862 bonds (distance) P-C4' energy: -7.967 flat angles C4'-P-C4' energy: -8.482 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -0.835 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: 1, replica: 4 ===================================== Write number: 280 Temperature: 0.900000 Total energy: -199.462715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.462715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.462715 (E_RNA) where: Base-Base interactions energy: -128.310 where: short stacking energy: -59.576 Base-Backbone interact. energy: -0.005 local terms energy: -71.147733 where: bonds (distance) C4'-P energy: -14.296 bonds (distance) P-C4' energy: -14.285 flat angles C4'-P-C4' energy: -14.184 flat angles P-C4'-P energy: -10.771 tors. eta vs tors. theta energy: -17.612 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: 9 ===================================== Write number: 280 Temperature: 0.950000 Total energy: -202.495589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.495589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.495589 (E_RNA) where: Base-Base interactions energy: -130.093 where: short stacking energy: -62.293 Base-Backbone interact. energy: -0.016 local terms energy: -72.386608 where: bonds (distance) C4'-P energy: -15.100 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -15.326 flat angles P-C4'-P energy: -9.316 tors. eta vs tors. theta energy: -17.672 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: 10 ===================================== Write number: 280 Temperature: 1.000000 Total energy: -196.323530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.323530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.323530 (E_RNA) where: Base-Base interactions energy: -129.530 where: short stacking energy: -57.782 Base-Backbone interact. energy: -0.026 local terms energy: -66.767285 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -12.423 tors. eta vs tors. theta energy: -14.324 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 280 Temperature: 1.050000 Total energy: -177.780597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.780597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.780597 (E_RNA) where: Base-Base interactions energy: -119.879 where: short stacking energy: -52.855 Base-Backbone interact. energy: -1.311 local terms energy: -56.590447 where: bonds (distance) C4'-P energy: -7.578 bonds (distance) P-C4' energy: -14.009 flat angles C4'-P-C4' energy: -14.389 flat angles P-C4'-P energy: -8.373 tors. eta vs tors. theta energy: -12.242 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 280 Temperature: 1.100000 Total energy: -180.027661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.027661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.027661 (E_RNA) where: Base-Base interactions energy: -117.585 where: short stacking energy: -59.191 Base-Backbone interact. energy: -0.400 local terms energy: -62.043247 where: bonds (distance) C4'-P energy: -10.922 bonds (distance) P-C4' energy: -14.975 flat angles C4'-P-C4' energy: -14.012 flat angles P-C4'-P energy: -7.984 tors. eta vs tors. theta energy: -14.149 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 280 Temperature: 1.150000 Total energy: -185.417042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.417042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.417042 (E_RNA) where: Base-Base interactions energy: -125.629 where: short stacking energy: -61.920 Base-Backbone interact. energy: -0.002 local terms energy: -59.785728 where: bonds (distance) C4'-P energy: -10.446 bonds (distance) P-C4' energy: -13.606 flat angles C4'-P-C4' energy: -14.414 flat angles P-C4'-P energy: -7.174 tors. eta vs tors. theta energy: -14.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 280 Temperature: 1.200000 Total energy: -166.857666 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.857666 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.857666 (E_RNA) where: Base-Base interactions energy: -103.581 where: short stacking energy: -51.868 Base-Backbone interact. energy: -0.762 local terms energy: -62.514840 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -12.465 flat angles C4'-P-C4' energy: -11.088 flat angles P-C4'-P energy: -10.619 tors. eta vs tors. theta energy: -14.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 280 Temperature: 1.250000 Total energy: -80.619481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.619481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.619481 (E_RNA) where: Base-Base interactions energy: -29.798 where: short stacking energy: -21.356 Base-Backbone interact. energy: -0.124 local terms energy: -50.696884 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -6.995 flat angles C4'-P-C4' energy: -11.288 flat angles P-C4'-P energy: -9.920 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: 9, replica: 7 ===================================== Write number: 280 Temperature: 1.300000 Total energy: -77.469209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.469209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.469209 (E_RNA) where: Base-Base interactions energy: -35.162 where: short stacking energy: -35.162 Base-Backbone interact. energy: -0.021 local terms energy: -42.285967 where: bonds (distance) C4'-P energy: -5.097 bonds (distance) P-C4' energy: -13.353 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -3.101 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: 2 ===================================== Write number: 280 Temperature: 1.350000 Total energy: -65.903354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.903354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.903354 (E_RNA) where: Base-Base interactions energy: -15.772 where: short stacking energy: -15.014 Base-Backbone interact. energy: 1.264 local terms energy: -51.394943 where: bonds (distance) C4'-P energy: -14.908 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -14.773 flat angles P-C4'-P energy: -2.831 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: 1, replica: 4 ===================================== Write number: 281 Temperature: 0.900000 Total energy: -213.633008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.633008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.633008 (E_RNA) where: Base-Base interactions energy: -144.246 where: short stacking energy: -65.083 Base-Backbone interact. energy: -0.051 local terms energy: -69.336142 where: bonds (distance) C4'-P energy: -13.609 bonds (distance) P-C4' energy: -7.847 flat angles C4'-P-C4' energy: -17.014 flat angles P-C4'-P energy: -11.844 tors. eta vs tors. theta energy: -19.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 281 Temperature: 0.950000 Total energy: -199.706542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.706542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.706542 (E_RNA) where: Base-Base interactions energy: -129.781 where: short stacking energy: -54.870 Base-Backbone interact. energy: -0.131 local terms energy: -69.794597 where: bonds (distance) C4'-P energy: -16.606 bonds (distance) P-C4' energy: -14.179 flat angles C4'-P-C4' energy: -15.948 flat angles P-C4'-P energy: -9.322 tors. eta vs tors. theta energy: -13.740 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 281 Temperature: 1.000000 Total energy: -198.875595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.875595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.875595 (E_RNA) where: Base-Base interactions energy: -135.190 where: short stacking energy: -56.419 Base-Backbone interact. energy: -0.072 local terms energy: -63.614008 where: bonds (distance) C4'-P energy: -14.049 bonds (distance) P-C4' energy: -10.358 flat angles C4'-P-C4' energy: -14.570 flat angles P-C4'-P energy: -11.062 tors. eta vs tors. theta energy: -13.576 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 281 Temperature: 1.050000 Total energy: -180.321962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.321962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.321962 (E_RNA) where: Base-Base interactions energy: -111.510 where: short stacking energy: -59.011 Base-Backbone interact. energy: 0.001 local terms energy: -68.812708 where: bonds (distance) C4'-P energy: -11.882 bonds (distance) P-C4' energy: -16.188 flat angles C4'-P-C4' energy: -14.241 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -17.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 281 Temperature: 1.100000 Total energy: -175.584950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.584950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.584950 (E_RNA) where: Base-Base interactions energy: -113.426 where: short stacking energy: -51.419 Base-Backbone interact. energy: -0.018 local terms energy: -62.141278 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -12.254 flat angles C4'-P-C4' energy: -15.523 flat angles P-C4'-P energy: -8.567 tors. eta vs tors. theta energy: -13.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 281 Temperature: 1.150000 Total energy: -191.186091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.186091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.186091 (E_RNA) where: Base-Base interactions energy: -124.285 where: short stacking energy: -56.974 Base-Backbone interact. energy: -0.073 local terms energy: -66.828343 where: bonds (distance) C4'-P energy: -8.950 bonds (distance) P-C4' energy: -14.117 flat angles C4'-P-C4' energy: -13.776 flat angles P-C4'-P energy: -9.842 tors. eta vs tors. theta energy: -20.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 281 Temperature: 1.200000 Total energy: -174.804839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.804839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.804839 (E_RNA) where: Base-Base interactions energy: -105.597 where: short stacking energy: -53.128 Base-Backbone interact. energy: -0.003 local terms energy: -69.205193 where: bonds (distance) C4'-P energy: -15.698 bonds (distance) P-C4' energy: -15.855 flat angles C4'-P-C4' energy: -13.209 flat angles P-C4'-P energy: -7.870 tors. eta vs tors. theta energy: -16.572 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: 8, replica: 7 ===================================== Write number: 281 Temperature: 1.250000 Total energy: -88.223416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.223416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.223416 (E_RNA) where: Base-Base interactions energy: -39.559 where: short stacking energy: -30.121 Base-Backbone interact. energy: -0.041 local terms energy: -48.623418 where: bonds (distance) C4'-P energy: -12.284 bonds (distance) P-C4' energy: -12.083 flat angles C4'-P-C4' energy: -8.271 flat angles P-C4'-P energy: -8.427 tors. eta vs tors. theta energy: -7.559 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 281 Temperature: 1.300000 Total energy: -80.614843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.614843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.614843 (E_RNA) where: Base-Base interactions energy: -27.346 where: short stacking energy: -27.346 Base-Backbone interact. energy: -0.090 local terms energy: -53.178589 where: bonds (distance) C4'-P energy: -14.755 bonds (distance) P-C4' energy: -13.435 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -9.796 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: 10, replica: 2 ===================================== Write number: 281 Temperature: 1.350000 Total energy: -80.590494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.590494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.590494 (E_RNA) where: Base-Base interactions energy: -36.234 where: short stacking energy: -34.021 Base-Backbone interact. energy: 0.107 local terms energy: -44.462756 where: bonds (distance) C4'-P energy: -13.117 bonds (distance) P-C4' energy: -10.079 flat angles C4'-P-C4' energy: -8.993 flat angles P-C4'-P energy: -7.099 tors. eta vs tors. theta energy: -5.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 282 Temperature: 0.900000 Total energy: -198.383251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.383251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.383251 (E_RNA) where: Base-Base interactions energy: -130.460 where: short stacking energy: -59.621 Base-Backbone interact. energy: -0.262 local terms energy: -67.660796 where: bonds (distance) C4'-P energy: -13.298 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -15.523 flat angles P-C4'-P energy: -12.645 tors. eta vs tors. theta energy: -13.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 282 Temperature: 0.950000 Total energy: -206.400357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.400357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.400357 (E_RNA) where: Base-Base interactions energy: -141.256 where: short stacking energy: -60.688 Base-Backbone interact. energy: -0.002 local terms energy: -65.141595 where: bonds (distance) C4'-P energy: -12.505 bonds (distance) P-C4' energy: -12.197 flat angles C4'-P-C4' energy: -11.708 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -20.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 282 Temperature: 1.000000 Total energy: -166.518464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.518464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.518464 (E_RNA) where: Base-Base interactions energy: -102.356 where: short stacking energy: -48.778 Base-Backbone interact. energy: -0.831 local terms energy: -63.330751 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -13.911 flat angles P-C4'-P energy: -10.127 tors. eta vs tors. theta energy: -10.292 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: 9 ===================================== Write number: 282 Temperature: 1.050000 Total energy: -192.874494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.874494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.874494 (E_RNA) where: Base-Base interactions energy: -127.625 where: short stacking energy: -62.658 Base-Backbone interact. energy: -0.174 local terms energy: -65.075035 where: bonds (distance) C4'-P energy: -9.382 bonds (distance) P-C4' energy: -11.814 flat angles C4'-P-C4' energy: -16.422 flat angles P-C4'-P energy: -12.659 tors. eta vs tors. theta energy: -14.798 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 282 Temperature: 1.100000 Total energy: -173.963074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.963074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.963074 (E_RNA) where: Base-Base interactions energy: -111.293 where: short stacking energy: -52.538 Base-Backbone interact. energy: -0.009 local terms energy: -62.660734 where: bonds (distance) C4'-P energy: -14.435 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -11.184 flat angles P-C4'-P energy: -10.389 tors. eta vs tors. theta energy: -10.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 282 Temperature: 1.150000 Total energy: -183.370471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.370471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.370471 (E_RNA) where: Base-Base interactions energy: -121.914 where: short stacking energy: -56.700 Base-Backbone interact. energy: -0.649 local terms energy: -60.807826 where: bonds (distance) C4'-P energy: -10.889 bonds (distance) P-C4' energy: -14.058 flat angles C4'-P-C4' energy: -13.211 flat angles P-C4'-P energy: -9.618 tors. eta vs tors. theta energy: -13.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 282 Temperature: 1.200000 Total energy: -163.061835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.061835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.061835 (E_RNA) where: Base-Base interactions energy: -99.416 where: short stacking energy: -44.300 Base-Backbone interact. energy: -0.149 local terms energy: -63.497295 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -13.618 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -10.303 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 282 Temperature: 1.250000 Total energy: -91.402991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.402991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.402991 (E_RNA) where: Base-Base interactions energy: -36.021 where: short stacking energy: -36.021 Base-Backbone interact. energy: -0.011 local terms energy: -55.370781 where: bonds (distance) C4'-P energy: -12.317 bonds (distance) P-C4' energy: -10.972 flat angles C4'-P-C4' energy: -13.361 flat angles P-C4'-P energy: -9.757 tors. eta vs tors. theta energy: -8.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 282 Temperature: 1.300000 Total energy: -81.524547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.524547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.524547 (E_RNA) where: Base-Base interactions energy: -38.359 where: short stacking energy: -25.200 Base-Backbone interact. energy: -0.178 local terms energy: -42.987637 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -13.043 flat angles C4'-P-C4' energy: -7.772 flat angles P-C4'-P energy: -8.660 tors. eta vs tors. theta energy: -1.930 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 282 Temperature: 1.350000 Total energy: -67.607018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.607018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.607018 (E_RNA) where: Base-Base interactions energy: -27.083 where: short stacking energy: -15.720 Base-Backbone interact. energy: -0.460 local terms energy: -40.063959 where: bonds (distance) C4'-P energy: -12.006 bonds (distance) P-C4' energy: -13.911 flat angles C4'-P-C4' energy: -11.893 flat angles P-C4'-P energy: -8.049 tors. eta vs tors. theta energy: 5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 283 Temperature: 0.900000 Total energy: -198.599762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.599762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.599762 (E_RNA) where: Base-Base interactions energy: -125.640 where: short stacking energy: -61.846 Base-Backbone interact. energy: -0.852 local terms energy: -72.107878 where: bonds (distance) C4'-P energy: -15.224 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -16.136 flat angles P-C4'-P energy: -10.488 tors. eta vs tors. theta energy: -16.760 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: 4 ===================================== Write number: 283 Temperature: 0.950000 Total energy: -209.382066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.382066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.382066 (E_RNA) where: Base-Base interactions energy: -135.005 where: short stacking energy: -63.699 Base-Backbone interact. energy: -0.008 local terms energy: -74.369017 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -14.773 flat angles C4'-P-C4' energy: -15.871 flat angles P-C4'-P energy: -12.447 tors. eta vs tors. theta energy: -18.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 283 Temperature: 1.000000 Total energy: -189.628945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.628945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.628945 (E_RNA) where: Base-Base interactions energy: -129.199 where: short stacking energy: -58.401 Base-Backbone interact. energy: -0.147 local terms energy: -60.283100 where: bonds (distance) C4'-P energy: -10.197 bonds (distance) P-C4' energy: -14.892 flat angles C4'-P-C4' energy: -12.135 flat angles P-C4'-P energy: -8.309 tors. eta vs tors. theta energy: -14.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 283 Temperature: 1.050000 Total energy: -196.183411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.183411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.183411 (E_RNA) where: Base-Base interactions energy: -129.074 where: short stacking energy: -59.203 Base-Backbone interact. energy: -0.066 local terms energy: -67.042698 where: bonds (distance) C4'-P energy: -13.248 bonds (distance) P-C4' energy: -11.460 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -11.005 tors. eta vs tors. theta energy: -17.537 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 283 Temperature: 1.100000 Total energy: -174.736768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.736768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.736768 (E_RNA) where: Base-Base interactions energy: -112.957 where: short stacking energy: -48.233 Base-Backbone interact. energy: -0.622 local terms energy: -61.157565 where: bonds (distance) C4'-P energy: -12.688 bonds (distance) P-C4' energy: -13.239 flat angles C4'-P-C4' energy: -15.055 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -10.282 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: 8 ===================================== Write number: 283 Temperature: 1.150000 Total energy: -170.112133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.112133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.112133 (E_RNA) where: Base-Base interactions energy: -113.608 where: short stacking energy: -52.268 Base-Backbone interact. energy: -0.032 local terms energy: -56.472059 where: bonds (distance) C4'-P energy: -14.445 bonds (distance) P-C4' energy: -11.369 flat angles C4'-P-C4' energy: -9.943 flat angles P-C4'-P energy: -5.921 tors. eta vs tors. theta energy: -14.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 283 Temperature: 1.200000 Total energy: -160.690427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.690427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.690427 (E_RNA) where: Base-Base interactions energy: -107.833 where: short stacking energy: -49.347 Base-Backbone interact. energy: -0.124 local terms energy: -52.734116 where: bonds (distance) C4'-P energy: -5.428 bonds (distance) P-C4' energy: -7.961 flat angles C4'-P-C4' energy: -13.836 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -15.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 283 Temperature: 1.250000 Total energy: -87.422319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.422319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.422319 (E_RNA) where: Base-Base interactions energy: -31.119 where: short stacking energy: -29.779 Base-Backbone interact. energy: -0.105 local terms energy: -56.197782 where: bonds (distance) C4'-P energy: -12.809 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -14.091 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -8.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 5 ===================================== Write number: 283 Temperature: 1.300000 Total energy: -74.282370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.282370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.282370 (E_RNA) where: Base-Base interactions energy: -31.732 where: short stacking energy: -31.732 Base-Backbone interact. energy: -0.210 local terms energy: -42.340300 where: bonds (distance) C4'-P energy: -6.766 bonds (distance) P-C4' energy: -14.263 flat angles C4'-P-C4' energy: -9.091 flat angles P-C4'-P energy: -7.451 tors. eta vs tors. theta energy: -4.769 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 283 Temperature: 1.350000 Total energy: -72.610919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.610919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.610919 (E_RNA) where: Base-Base interactions energy: -28.918 where: short stacking energy: -28.918 Base-Backbone interact. energy: -0.063 local terms energy: -43.629166 where: bonds (distance) C4'-P energy: -11.525 bonds (distance) P-C4' energy: -12.312 flat angles C4'-P-C4' energy: -8.670 flat angles P-C4'-P energy: -3.459 tors. eta vs tors. theta energy: -7.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 284 Temperature: 0.900000 Total energy: -203.596654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.596654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.596654 (E_RNA) where: Base-Base interactions energy: -131.750 where: short stacking energy: -57.749 Base-Backbone interact. energy: -0.062 local terms energy: -71.784142 where: bonds (distance) C4'-P energy: -14.676 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -15.813 flat angles P-C4'-P energy: -12.019 tors. eta vs tors. theta energy: -15.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 284 Temperature: 0.950000 Total energy: -203.372685 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.372685 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.372685 (E_RNA) where: Base-Base interactions energy: -134.889 where: short stacking energy: -62.512 Base-Backbone interact. energy: -0.002 local terms energy: -68.481423 where: bonds (distance) C4'-P energy: -11.153 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -15.688 flat angles P-C4'-P energy: -9.252 tors. eta vs tors. theta energy: -19.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 284 Temperature: 1.000000 Total energy: -198.320146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.320146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.320146 (E_RNA) where: Base-Base interactions energy: -135.678 where: short stacking energy: -53.820 Base-Backbone interact. energy: -0.016 local terms energy: -62.626396 where: bonds (distance) C4'-P energy: -15.314 bonds (distance) P-C4' energy: -9.021 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -8.122 tors. eta vs tors. theta energy: -15.120 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: 4, replica: 3 ===================================== Write number: 284 Temperature: 1.050000 Total energy: -168.538021 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.538021 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.538021 (E_RNA) where: Base-Base interactions energy: -107.747 where: short stacking energy: -49.851 Base-Backbone interact. energy: -0.040 local terms energy: -60.751062 where: bonds (distance) C4'-P energy: -11.775 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -14.413 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -13.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 284 Temperature: 1.100000 Total energy: -175.519422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.519422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.519422 (E_RNA) where: Base-Base interactions energy: -114.067 where: short stacking energy: -57.376 Base-Backbone interact. energy: -0.083 local terms energy: -61.369692 where: bonds (distance) C4'-P energy: -7.449 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -13.158 flat angles P-C4'-P energy: -12.096 tors. eta vs tors. theta energy: -14.053 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: 9 ===================================== Write number: 284 Temperature: 1.150000 Total energy: -185.965467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.965467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.965467 (E_RNA) where: Base-Base interactions energy: -127.822 where: short stacking energy: -61.162 Base-Backbone interact. energy: -0.018 local terms energy: -58.125701 where: bonds (distance) C4'-P energy: -8.366 bonds (distance) P-C4' energy: -9.228 flat angles C4'-P-C4' energy: -15.041 flat angles P-C4'-P energy: -7.136 tors. eta vs tors. theta energy: -18.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 284 Temperature: 1.200000 Total energy: -141.324248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -141.324248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -141.324248 (E_RNA) where: Base-Base interactions energy: -90.322 where: short stacking energy: -36.256 Base-Backbone interact. energy: -0.238 local terms energy: -50.764471 where: bonds (distance) C4'-P energy: -14.585 bonds (distance) P-C4' energy: -15.255 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -5.408 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: 7 ===================================== Write number: 284 Temperature: 1.250000 Total energy: -75.778785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.778785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.778785 (E_RNA) where: Base-Base interactions energy: -26.778 where: short stacking energy: -26.778 Base-Backbone interact. energy: -0.108 local terms energy: -48.892752 where: bonds (distance) C4'-P energy: -6.869 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -11.764 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 284 Temperature: 1.300000 Total energy: -81.930214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.930214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.930214 (E_RNA) where: Base-Base interactions energy: -33.664 where: short stacking energy: -32.684 Base-Backbone interact. energy: -0.085 local terms energy: -48.181048 where: bonds (distance) C4'-P energy: -13.757 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -8.523 flat angles P-C4'-P energy: -7.585 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: 10, replica: 5 ===================================== Write number: 284 Temperature: 1.350000 Total energy: -65.000371 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.000371 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.000371 (E_RNA) where: Base-Base interactions energy: -19.940 where: short stacking energy: -19.940 Base-Backbone interact. energy: -0.022 local terms energy: -45.038345 where: bonds (distance) C4'-P energy: -10.248 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -10.263 flat angles P-C4'-P energy: -9.286 tors. eta vs tors. theta energy: -1.325 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 285 Temperature: 0.900000 Total energy: -207.127468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.127468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.127468 (E_RNA) where: Base-Base interactions energy: -134.710 where: short stacking energy: -67.844 Base-Backbone interact. energy: -0.349 local terms energy: -72.068078 where: bonds (distance) C4'-P energy: -15.509 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -15.281 flat angles P-C4'-P energy: -9.322 tors. eta vs tors. theta energy: -19.072 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: 1 ===================================== Write number: 285 Temperature: 0.950000 Total energy: -203.460957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.460957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.460957 (E_RNA) where: Base-Base interactions energy: -134.237 where: short stacking energy: -55.593 Base-Backbone interact. energy: -0.131 local terms energy: -69.092667 where: bonds (distance) C4'-P energy: -13.591 bonds (distance) P-C4' energy: -14.384 flat angles C4'-P-C4' energy: -14.315 flat angles P-C4'-P energy: -10.075 tors. eta vs tors. theta energy: -16.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 285 Temperature: 1.000000 Total energy: -208.925347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.925347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.925347 (E_RNA) where: Base-Base interactions energy: -138.167 where: short stacking energy: -63.778 Base-Backbone interact. energy: -0.085 local terms energy: -70.673316 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -15.641 flat angles C4'-P-C4' energy: -12.352 flat angles P-C4'-P energy: -9.913 tors. eta vs tors. theta energy: -18.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 8 ===================================== Write number: 285 Temperature: 1.050000 Total energy: -171.151438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.151438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.151438 (E_RNA) where: Base-Base interactions energy: -109.608 where: short stacking energy: -52.137 Base-Backbone interact. energy: 0.620 local terms energy: -62.162914 where: bonds (distance) C4'-P energy: -10.822 bonds (distance) P-C4' energy: -13.673 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -11.172 tors. eta vs tors. theta energy: -13.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 285 Temperature: 1.100000 Total energy: -170.364426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.364426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.364426 (E_RNA) where: Base-Base interactions energy: -105.998 where: short stacking energy: -45.598 Base-Backbone interact. energy: -0.042 local terms energy: -64.323932 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -13.782 flat angles C4'-P-C4' energy: -14.429 flat angles P-C4'-P energy: -11.323 tors. eta vs tors. theta energy: -11.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 285 Temperature: 1.150000 Total energy: -175.082392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.082392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.082392 (E_RNA) where: Base-Base interactions energy: -117.321 where: short stacking energy: -52.876 Base-Backbone interact. energy: 0.045 local terms energy: -57.806373 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -13.776 flat angles C4'-P-C4' energy: -12.905 flat angles P-C4'-P energy: -6.043 tors. eta vs tors. theta energy: -10.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 285 Temperature: 1.200000 Total energy: -167.684076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.684076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.684076 (E_RNA) where: Base-Base interactions energy: -118.335 where: short stacking energy: -52.212 Base-Backbone interact. energy: 0.742 local terms energy: -50.091780 where: bonds (distance) C4'-P energy: -9.744 bonds (distance) P-C4' energy: -12.057 flat angles C4'-P-C4' energy: -11.825 flat angles P-C4'-P energy: -6.852 tors. eta vs tors. theta energy: -9.614 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: 2 ===================================== Write number: 285 Temperature: 1.250000 Total energy: -98.238582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.238582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.238582 (E_RNA) where: Base-Base interactions energy: -48.141 where: short stacking energy: -41.456 Base-Backbone interact. energy: -0.171 local terms energy: -49.925701 where: bonds (distance) C4'-P energy: -11.506 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -8.279 flat angles P-C4'-P energy: -8.313 tors. eta vs tors. theta energy: -8.955 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: 7 ===================================== Write number: 285 Temperature: 1.300000 Total energy: -74.763212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.763212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.763212 (E_RNA) where: Base-Base interactions energy: -32.730 where: short stacking energy: -26.977 Base-Backbone interact. energy: -0.148 local terms energy: -41.885528 where: bonds (distance) C4'-P energy: -15.491 bonds (distance) P-C4' energy: -11.182 flat angles C4'-P-C4' energy: -6.719 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -3.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 5 ===================================== Write number: 285 Temperature: 1.350000 Total energy: -70.856530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.856530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.856530 (E_RNA) where: Base-Base interactions energy: -28.794 where: short stacking energy: -28.580 Base-Backbone interact. energy: -0.094 local terms energy: -41.967626 where: bonds (distance) C4'-P energy: -6.922 bonds (distance) P-C4' energy: -13.159 flat angles C4'-P-C4' energy: -13.828 flat angles P-C4'-P energy: -4.917 tors. eta vs tors. theta energy: -3.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 286 Temperature: 0.900000 Total energy: -210.989757 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.989757 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.989757 (E_RNA) where: Base-Base interactions energy: -137.021 where: short stacking energy: -64.204 Base-Backbone interact. energy: -0.016 local terms energy: -73.952707 where: bonds (distance) C4'-P energy: -14.792 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -14.972 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -20.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 286 Temperature: 0.950000 Total energy: -197.088532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.088532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.088532 (E_RNA) where: Base-Base interactions energy: -129.360 where: short stacking energy: -63.427 Base-Backbone interact. energy: -0.101 local terms energy: -67.627564 where: bonds (distance) C4'-P energy: -14.808 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -16.114 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: 3, replica: 4 ===================================== Write number: 286 Temperature: 1.000000 Total energy: -202.360819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.360819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.360819 (E_RNA) where: Base-Base interactions energy: -137.647 where: short stacking energy: -59.931 Base-Backbone interact. energy: -0.282 local terms energy: -64.431306 where: bonds (distance) C4'-P energy: -12.300 bonds (distance) P-C4' energy: -10.708 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: -18.230 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: 8 ===================================== Write number: 286 Temperature: 1.050000 Total energy: -178.558300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.558300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.558300 (E_RNA) where: Base-Base interactions energy: -117.290 where: short stacking energy: -56.438 Base-Backbone interact. energy: 0.927 local terms energy: -62.195357 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -14.990 flat angles C4'-P-C4' energy: -11.600 flat angles P-C4'-P energy: -5.386 tors. eta vs tors. theta energy: -16.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 286 Temperature: 1.100000 Total energy: -190.219749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.219749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.219749 (E_RNA) where: Base-Base interactions energy: -127.280 where: short stacking energy: -57.881 Base-Backbone interact. energy: -0.005 local terms energy: -62.934629 where: bonds (distance) C4'-P energy: -7.558 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -14.667 flat angles P-C4'-P energy: -8.662 tors. eta vs tors. theta energy: -18.963 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: 3 ===================================== Write number: 286 Temperature: 1.150000 Total energy: -184.952159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.952159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.952159 (E_RNA) where: Base-Base interactions energy: -118.363 where: short stacking energy: -55.871 Base-Backbone interact. energy: -0.163 local terms energy: -66.426539 where: bonds (distance) C4'-P energy: -10.031 bonds (distance) P-C4' energy: -13.976 flat angles C4'-P-C4' energy: -13.244 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -19.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 286 Temperature: 1.200000 Total energy: -174.388629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.388629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.388629 (E_RNA) where: Base-Base interactions energy: -115.965 where: short stacking energy: -57.203 Base-Backbone interact. energy: -0.000 local terms energy: -58.422819 where: bonds (distance) C4'-P energy: -11.552 bonds (distance) P-C4' energy: -14.363 flat angles C4'-P-C4' energy: -7.442 flat angles P-C4'-P energy: -8.559 tors. eta vs tors. theta energy: -16.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 286 Temperature: 1.250000 Total energy: -91.796287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.796287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.796287 (E_RNA) where: Base-Base interactions energy: -34.388 where: short stacking energy: -34.388 Base-Backbone interact. energy: -0.037 local terms energy: -57.371349 where: bonds (distance) C4'-P energy: -13.824 bonds (distance) P-C4' energy: -16.703 flat angles C4'-P-C4' energy: -11.990 flat angles P-C4'-P energy: -9.016 tors. eta vs tors. theta energy: -5.838 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: 5 ===================================== Write number: 286 Temperature: 1.300000 Total energy: -82.256342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.256342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.256342 (E_RNA) where: Base-Base interactions energy: -31.640 where: short stacking energy: -31.640 Base-Backbone interact. energy: -0.010 local terms energy: -50.605927 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -9.666 flat angles P-C4'-P energy: -7.866 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: 10, replica: 7 ===================================== Write number: 286 Temperature: 1.350000 Total energy: -82.565850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.565850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.565850 (E_RNA) where: Base-Base interactions energy: -32.933 where: short stacking energy: -32.933 Base-Backbone interact. energy: -0.077 local terms energy: -49.556149 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -9.752 flat angles C4'-P-C4' energy: -9.219 flat angles P-C4'-P energy: -10.951 tors. eta vs tors. theta energy: -7.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 287 Temperature: 0.900000 Total energy: -216.270316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.270316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.270316 (E_RNA) where: Base-Base interactions energy: -143.978 where: short stacking energy: -64.893 Base-Backbone interact. energy: -0.334 local terms energy: -71.958291 where: bonds (distance) C4'-P energy: -13.670 bonds (distance) P-C4' energy: -13.356 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -11.958 tors. eta vs tors. theta energy: -19.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 287 Temperature: 0.950000 Total energy: -209.117624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.117624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.117624 (E_RNA) where: Base-Base interactions energy: -140.237 where: short stacking energy: -65.445 Base-Backbone interact. energy: -0.015 local terms energy: -68.865179 where: bonds (distance) C4'-P energy: -13.083 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -8.752 tors. eta vs tors. theta energy: -18.200 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: 3, replica: 10 ===================================== Write number: 287 Temperature: 1.000000 Total energy: -203.383483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.383483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.383483 (E_RNA) where: Base-Base interactions energy: -139.744 where: short stacking energy: -69.347 Base-Backbone interact. energy: -0.000 local terms energy: -63.638951 where: bonds (distance) C4'-P energy: -12.676 bonds (distance) P-C4' energy: -8.669 flat angles C4'-P-C4' energy: -14.748 flat angles P-C4'-P energy: -6.879 tors. eta vs tors. theta energy: -20.668 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: 9 ===================================== Write number: 287 Temperature: 1.050000 Total energy: -198.666470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.666470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.666470 (E_RNA) where: Base-Base interactions energy: -136.938 where: short stacking energy: -64.215 Base-Backbone interact. energy: -0.107 local terms energy: -61.621351 where: bonds (distance) C4'-P energy: -6.946 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -15.206 flat angles P-C4'-P energy: -8.896 tors. eta vs tors. theta energy: -18.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 287 Temperature: 1.100000 Total energy: -164.153191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.153191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.153191 (E_RNA) where: Base-Base interactions energy: -110.522 where: short stacking energy: -55.481 Base-Backbone interact. energy: 0.061 local terms energy: -53.691974 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -15.791 flat angles C4'-P-C4' energy: -12.519 flat angles P-C4'-P energy: -1.272 tors. eta vs tors. theta energy: -12.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 287 Temperature: 1.150000 Total energy: -168.438336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.438336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.438336 (E_RNA) where: Base-Base interactions energy: -103.542 where: short stacking energy: -47.563 Base-Backbone interact. energy: -0.004 local terms energy: -64.892215 where: bonds (distance) C4'-P energy: -16.017 bonds (distance) P-C4' energy: -14.224 flat angles C4'-P-C4' energy: -11.776 flat angles P-C4'-P energy: -8.666 tors. eta vs tors. theta energy: -14.210 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: 6 ===================================== Write number: 287 Temperature: 1.200000 Total energy: -181.334242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.334242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.334242 (E_RNA) where: Base-Base interactions energy: -118.041 where: short stacking energy: -57.030 Base-Backbone interact. energy: -0.192 local terms energy: -63.101138 where: bonds (distance) C4'-P energy: -14.044 bonds (distance) P-C4' energy: -7.700 flat angles C4'-P-C4' energy: -15.197 flat angles P-C4'-P energy: -9.182 tors. eta vs tors. theta energy: -16.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 287 Temperature: 1.250000 Total energy: -90.937311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.937311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.937311 (E_RNA) where: Base-Base interactions energy: -32.051 where: short stacking energy: -28.822 Base-Backbone interact. energy: -0.114 local terms energy: -58.772017 where: bonds (distance) C4'-P energy: -11.949 bonds (distance) P-C4' energy: -14.310 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -12.047 tors. eta vs tors. theta energy: -7.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 287 Temperature: 1.300000 Total energy: -85.415802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.415802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.415802 (E_RNA) where: Base-Base interactions energy: -33.388 where: short stacking energy: -31.045 Base-Backbone interact. energy: -0.005 local terms energy: -52.022888 where: bonds (distance) C4'-P energy: -9.457 bonds (distance) P-C4' energy: -10.815 flat angles C4'-P-C4' energy: -14.371 flat angles P-C4'-P energy: -9.276 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: 10, replica: 7 ===================================== Write number: 287 Temperature: 1.350000 Total energy: -66.241037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.241037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.241037 (E_RNA) where: Base-Base interactions energy: -25.317 where: short stacking energy: -19.108 Base-Backbone interact. energy: -0.252 local terms energy: -40.672167 where: bonds (distance) C4'-P energy: -5.962 bonds (distance) P-C4' energy: -12.386 flat angles C4'-P-C4' energy: -11.198 flat angles P-C4'-P energy: -6.360 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: 1, replica: 1 ===================================== Write number: 288 Temperature: 0.900000 Total energy: -214.121759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.121759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.121759 (E_RNA) where: Base-Base interactions energy: -144.404 where: short stacking energy: -66.981 Base-Backbone interact. energy: -0.044 local terms energy: -69.673380 where: bonds (distance) C4'-P energy: -14.007 bonds (distance) P-C4' energy: -10.901 flat angles C4'-P-C4' energy: -17.042 flat angles P-C4'-P energy: -8.731 tors. eta vs tors. theta energy: -18.992 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 288 Temperature: 0.950000 Total energy: -207.683318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.683318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.683318 (E_RNA) where: Base-Base interactions energy: -137.690 where: short stacking energy: -57.654 Base-Backbone interact. energy: -0.001 local terms energy: -69.992491 where: bonds (distance) C4'-P energy: -11.742 bonds (distance) P-C4' energy: -15.001 flat angles C4'-P-C4' energy: -14.117 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -19.010 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: 9 ===================================== Write number: 288 Temperature: 1.000000 Total energy: -193.813073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.813073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.813073 (E_RNA) where: Base-Base interactions energy: -127.602 where: short stacking energy: -59.266 Base-Backbone interact. energy: -0.173 local terms energy: -66.038585 where: bonds (distance) C4'-P energy: -14.746 bonds (distance) P-C4' energy: -14.312 flat angles C4'-P-C4' energy: -12.091 flat angles P-C4'-P energy: -7.793 tors. eta vs tors. theta energy: -17.096 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: 10 ===================================== Write number: 288 Temperature: 1.050000 Total energy: -196.291291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.291291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.291291 (E_RNA) where: Base-Base interactions energy: -127.305 where: short stacking energy: -66.087 Base-Backbone interact. energy: -0.015 local terms energy: -68.971292 where: bonds (distance) C4'-P energy: -14.925 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -13.795 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -16.817 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 288 Temperature: 1.100000 Total energy: -162.240882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.240882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.240882 (E_RNA) where: Base-Base interactions energy: -105.108 where: short stacking energy: -44.934 Base-Backbone interact. energy: -0.312 local terms energy: -56.820166 where: bonds (distance) C4'-P energy: -15.909 bonds (distance) P-C4' energy: -13.555 flat angles C4'-P-C4' energy: -8.194 flat angles P-C4'-P energy: -7.592 tors. eta vs tors. theta energy: -11.571 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 8 ===================================== Write number: 288 Temperature: 1.150000 Total energy: -153.989301 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -153.989301 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -153.989301 (E_RNA) where: Base-Base interactions energy: -95.392 where: short stacking energy: -46.597 Base-Backbone interact. energy: -0.170 local terms energy: -58.426673 where: bonds (distance) C4'-P energy: -10.793 bonds (distance) P-C4' energy: -11.866 flat angles C4'-P-C4' energy: -14.964 flat angles P-C4'-P energy: -10.974 tors. eta vs tors. theta energy: -9.829 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: 6 ===================================== Write number: 288 Temperature: 1.200000 Total energy: -174.491982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.491982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.491982 (E_RNA) where: Base-Base interactions energy: -120.011 where: short stacking energy: -56.036 Base-Backbone interact. energy: -0.183 local terms energy: -54.298235 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -5.197 flat angles C4'-P-C4' energy: -10.769 flat angles P-C4'-P energy: -10.707 tors. eta vs tors. theta energy: -13.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 288 Temperature: 1.250000 Total energy: -182.560495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.560495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.560495 (E_RNA) where: Base-Base interactions energy: -120.329 where: short stacking energy: -53.453 Base-Backbone interact. energy: -0.606 local terms energy: -61.625700 where: bonds (distance) C4'-P energy: -14.359 bonds (distance) P-C4' energy: -13.892 flat angles C4'-P-C4' energy: -10.544 flat angles P-C4'-P energy: -9.087 tors. eta vs tors. theta energy: -13.744 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 288 Temperature: 1.300000 Total energy: -67.654321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.654321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.654321 (E_RNA) where: Base-Base interactions energy: -27.177 where: short stacking energy: -25.532 Base-Backbone interact. energy: -0.280 local terms energy: -40.197718 where: bonds (distance) C4'-P energy: -11.013 bonds (distance) P-C4' energy: -9.216 flat angles C4'-P-C4' energy: -11.810 flat angles P-C4'-P energy: -6.679 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: 2 ===================================== Write number: 288 Temperature: 1.350000 Total energy: -79.747403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.747403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.747403 (E_RNA) where: Base-Base interactions energy: -32.162 where: short stacking energy: -30.902 Base-Backbone interact. energy: -0.108 local terms energy: -47.477141 where: bonds (distance) C4'-P energy: -11.071 bonds (distance) P-C4' energy: -15.265 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -5.908 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: 1 ===================================== Write number: 289 Temperature: 0.900000 Total energy: -214.995315 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.995315 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.995315 (E_RNA) where: Base-Base interactions energy: -142.556 where: short stacking energy: -66.019 Base-Backbone interact. energy: -0.003 local terms energy: -72.436241 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -16.246 flat angles C4'-P-C4' energy: -14.376 flat angles P-C4'-P energy: -12.558 tors. eta vs tors. theta energy: -18.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 289 Temperature: 0.950000 Total energy: -209.200932 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.200932 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.200932 (E_RNA) where: Base-Base interactions energy: -140.958 where: short stacking energy: -64.656 Base-Backbone interact. energy: -0.044 local terms energy: -68.199170 where: bonds (distance) C4'-P energy: -11.506 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -15.063 flat angles P-C4'-P energy: -8.865 tors. eta vs tors. theta energy: -19.054 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 289 Temperature: 1.000000 Total energy: -201.497432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.497432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.497432 (E_RNA) where: Base-Base interactions energy: -135.173 where: short stacking energy: -56.628 Base-Backbone interact. energy: -0.099 local terms energy: -66.226395 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -14.236 flat angles C4'-P-C4' energy: -16.326 flat angles P-C4'-P energy: -5.712 tors. eta vs tors. theta energy: -18.662 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: 10 ===================================== Write number: 289 Temperature: 1.050000 Total energy: -197.151283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.151283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.151283 (E_RNA) where: Base-Base interactions energy: -126.430 where: short stacking energy: -56.014 Base-Backbone interact. energy: -0.709 local terms energy: -70.011841 where: bonds (distance) C4'-P energy: -13.920 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -15.171 flat angles P-C4'-P energy: -9.464 tors. eta vs tors. theta energy: -18.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 289 Temperature: 1.100000 Total energy: -165.173807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.173807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.173807 (E_RNA) where: Base-Base interactions energy: -104.761 where: short stacking energy: -46.245 Base-Backbone interact. energy: -0.003 local terms energy: -60.410325 where: bonds (distance) C4'-P energy: -11.725 bonds (distance) P-C4' energy: -14.824 flat angles C4'-P-C4' energy: -15.549 flat angles P-C4'-P energy: -9.941 tors. eta vs tors. theta energy: -8.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 289 Temperature: 1.150000 Total energy: -174.503732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.503732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.503732 (E_RNA) where: Base-Base interactions energy: -104.658 where: short stacking energy: -50.065 Base-Backbone interact. energy: -0.657 local terms energy: -69.189265 where: bonds (distance) C4'-P energy: -15.591 bonds (distance) P-C4' energy: -14.979 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -10.778 tors. eta vs tors. theta energy: -13.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 289 Temperature: 1.200000 Total energy: -165.416382 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.416382 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.416382 (E_RNA) where: Base-Base interactions energy: -114.785 where: short stacking energy: -47.109 Base-Backbone interact. energy: -0.124 local terms energy: -50.507411 where: bonds (distance) C4'-P energy: -7.353 bonds (distance) P-C4' energy: -7.936 flat angles C4'-P-C4' energy: -13.920 flat angles P-C4'-P energy: -7.537 tors. eta vs tors. theta energy: -13.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 289 Temperature: 1.250000 Total energy: -178.577458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.577458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.577458 (E_RNA) where: Base-Base interactions energy: -121.936 where: short stacking energy: -50.981 Base-Backbone interact. energy: -0.103 local terms energy: -56.537754 where: bonds (distance) C4'-P energy: -10.431 bonds (distance) P-C4' energy: -12.741 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -5.768 tors. eta vs tors. theta energy: -14.550 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 289 Temperature: 1.300000 Total energy: -80.314599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.314599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.314599 (E_RNA) where: Base-Base interactions energy: -32.627 where: short stacking energy: -20.356 Base-Backbone interact. energy: -0.366 local terms energy: -47.321040 where: bonds (distance) C4'-P energy: -11.529 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -14.277 flat angles P-C4'-P energy: -5.635 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: 10, replica: 2 ===================================== Write number: 289 Temperature: 1.350000 Total energy: -67.205496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.205496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.205496 (E_RNA) where: Base-Base interactions energy: -21.604 where: short stacking energy: -18.728 Base-Backbone interact. energy: -0.166 local terms energy: -45.435639 where: bonds (distance) C4'-P energy: -10.855 bonds (distance) P-C4' energy: -13.325 flat angles C4'-P-C4' energy: -11.447 flat angles P-C4'-P energy: -7.899 tors. eta vs tors. theta energy: -1.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 290 Temperature: 0.900000 Total energy: -207.863600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.863600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.863600 (E_RNA) where: Base-Base interactions energy: -137.708 where: short stacking energy: -57.991 Base-Backbone interact. energy: -0.002 local terms energy: -70.152789 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -14.313 flat angles C4'-P-C4' energy: -15.636 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -17.515 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 290 Temperature: 0.950000 Total energy: -209.165210 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.165210 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.165210 (E_RNA) where: Base-Base interactions energy: -132.796 where: short stacking energy: -66.476 Base-Backbone interact. energy: -0.067 local terms energy: -76.301760 where: bonds (distance) C4'-P energy: -14.842 bonds (distance) P-C4' energy: -13.123 flat angles C4'-P-C4' energy: -17.047 flat angles P-C4'-P energy: -13.036 tors. eta vs tors. theta energy: -18.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 290 Temperature: 1.000000 Total energy: -204.257377 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.257377 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.257377 (E_RNA) where: Base-Base interactions energy: -140.484 where: short stacking energy: -63.594 Base-Backbone interact. energy: -0.167 local terms energy: -63.605826 where: bonds (distance) C4'-P energy: -11.352 bonds (distance) P-C4' energy: -13.001 flat angles C4'-P-C4' energy: -10.893 flat angles P-C4'-P energy: -10.005 tors. eta vs tors. theta energy: -18.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 290 Temperature: 1.050000 Total energy: -195.467612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.467612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.467612 (E_RNA) where: Base-Base interactions energy: -131.100 where: short stacking energy: -58.034 Base-Backbone interact. energy: -0.122 local terms energy: -64.245984 where: bonds (distance) C4'-P energy: -14.336 bonds (distance) P-C4' energy: -11.221 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -7.116 tors. eta vs tors. theta energy: -18.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 290 Temperature: 1.100000 Total energy: -192.141406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.141406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.141406 (E_RNA) where: Base-Base interactions energy: -126.954 where: short stacking energy: -51.582 Base-Backbone interact. energy: -0.092 local terms energy: -65.095341 where: bonds (distance) C4'-P energy: -9.166 bonds (distance) P-C4' energy: -14.743 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -11.964 tors. eta vs tors. theta energy: -15.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 290 Temperature: 1.150000 Total energy: -167.013942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.013942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.013942 (E_RNA) where: Base-Base interactions energy: -110.011 where: short stacking energy: -54.657 Base-Backbone interact. energy: -0.196 local terms energy: -56.806724 where: bonds (distance) C4'-P energy: -12.197 bonds (distance) P-C4' energy: -10.967 flat angles C4'-P-C4' energy: -12.065 flat angles P-C4'-P energy: -8.956 tors. eta vs tors. theta energy: -12.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 290 Temperature: 1.200000 Total energy: -168.251725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.251725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.251725 (E_RNA) where: Base-Base interactions energy: -108.943 where: short stacking energy: -50.748 Base-Backbone interact. energy: -0.053 local terms energy: -59.255890 where: bonds (distance) C4'-P energy: -14.759 bonds (distance) P-C4' energy: -12.584 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -9.955 tors. eta vs tors. theta energy: -9.746 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: 8 ===================================== Write number: 290 Temperature: 1.250000 Total energy: -161.566760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.566760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.566760 (E_RNA) where: Base-Base interactions energy: -108.314 where: short stacking energy: -53.619 Base-Backbone interact. energy: -0.005 local terms energy: -53.248422 where: bonds (distance) C4'-P energy: -11.969 bonds (distance) P-C4' energy: -12.546 flat angles C4'-P-C4' energy: -9.802 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -11.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 290 Temperature: 1.300000 Total energy: -74.511985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.511985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.511985 (E_RNA) where: Base-Base interactions energy: -30.748 where: short stacking energy: -23.769 Base-Backbone interact. energy: -0.186 local terms energy: -43.577794 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -13.031 flat angles C4'-P-C4' energy: -9.769 flat angles P-C4'-P energy: -7.663 tors. eta vs tors. theta energy: -0.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 290 Temperature: 1.350000 Total energy: -70.605208 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.605208 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.605208 (E_RNA) where: Base-Base interactions energy: -33.375 where: short stacking energy: -33.375 Base-Backbone interact. energy: 0.342 local terms energy: -37.572064 where: bonds (distance) C4'-P energy: -7.385 bonds (distance) P-C4' energy: -11.419 flat angles C4'-P-C4' energy: -5.605 flat angles P-C4'-P energy: -3.891 tors. eta vs tors. theta energy: -9.271 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: 9 ===================================== Write number: 291 Temperature: 0.900000 Total energy: -201.299001 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.299001 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.299001 (E_RNA) where: Base-Base interactions energy: -137.708 where: short stacking energy: -60.007 Base-Backbone interact. energy: -0.116 local terms energy: -63.475181 where: bonds (distance) C4'-P energy: -11.666 bonds (distance) P-C4' energy: -14.186 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -9.479 tors. eta vs tors. theta energy: -13.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 291 Temperature: 0.950000 Total energy: -200.496493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.496493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.496493 (E_RNA) where: Base-Base interactions energy: -131.045 where: short stacking energy: -58.930 Base-Backbone interact. energy: -0.001 local terms energy: -69.450318 where: bonds (distance) C4'-P energy: -9.427 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -14.510 flat angles P-C4'-P energy: -12.021 tors. eta vs tors. theta energy: -18.274 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 291 Temperature: 1.000000 Total energy: -200.638280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.638280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.638280 (E_RNA) where: Base-Base interactions energy: -135.594 where: short stacking energy: -62.666 Base-Backbone interact. energy: -0.115 local terms energy: -64.929494 where: bonds (distance) C4'-P energy: -15.144 bonds (distance) P-C4' energy: -10.595 flat angles C4'-P-C4' energy: -12.233 flat angles P-C4'-P energy: -9.356 tors. eta vs tors. theta energy: -17.601 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: 4 ===================================== Write number: 291 Temperature: 1.050000 Total energy: -194.855283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.855283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.855283 (E_RNA) where: Base-Base interactions energy: -125.664 where: short stacking energy: -61.617 Base-Backbone interact. energy: -0.048 local terms energy: -69.143144 where: bonds (distance) C4'-P energy: -13.741 bonds (distance) P-C4' energy: -13.997 flat angles C4'-P-C4' energy: -14.838 flat angles P-C4'-P energy: -9.181 tors. eta vs tors. theta energy: -17.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 291 Temperature: 1.100000 Total energy: -184.714508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.714508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.714508 (E_RNA) where: Base-Base interactions energy: -123.237 where: short stacking energy: -57.387 Base-Backbone interact. energy: -0.577 local terms energy: -60.900565 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -11.027 flat angles C4'-P-C4' energy: -11.665 flat angles P-C4'-P energy: -12.584 tors. eta vs tors. theta energy: -14.791 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: 291 Temperature: 1.150000 Total energy: -164.193770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.193770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.193770 (E_RNA) where: Base-Base interactions energy: -107.255 where: short stacking energy: -52.684 Base-Backbone interact. energy: -0.163 local terms energy: -56.776148 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -13.598 flat angles C4'-P-C4' energy: -9.783 flat angles P-C4'-P energy: -8.071 tors. eta vs tors. theta energy: -13.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 291 Temperature: 1.200000 Total energy: -178.812277 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.812277 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.812277 (E_RNA) where: Base-Base interactions energy: -120.311 where: short stacking energy: -47.220 Base-Backbone interact. energy: -0.222 local terms energy: -58.279094 where: bonds (distance) C4'-P energy: -10.147 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -13.161 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -11.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 291 Temperature: 1.250000 Total energy: -145.753089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.753089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.753089 (E_RNA) where: Base-Base interactions energy: -92.130 where: short stacking energy: -41.011 Base-Backbone interact. energy: -0.432 local terms energy: -53.190927 where: bonds (distance) C4'-P energy: -6.684 bonds (distance) P-C4' energy: -13.507 flat angles C4'-P-C4' energy: -9.189 flat angles P-C4'-P energy: -11.149 tors. eta vs tors. theta energy: -12.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 291 Temperature: 1.300000 Total energy: -71.622115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.622115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.622115 (E_RNA) where: Base-Base interactions energy: -23.221 where: short stacking energy: -23.221 Base-Backbone interact. energy: -0.249 local terms energy: -48.152409 where: bonds (distance) C4'-P energy: -9.838 bonds (distance) P-C4' energy: -13.417 flat angles C4'-P-C4' energy: -15.563 flat angles P-C4'-P energy: -5.221 tors. eta vs tors. theta energy: -4.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 291 Temperature: 1.350000 Total energy: -73.011338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.011338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.011338 (E_RNA) where: Base-Base interactions energy: -25.975 where: short stacking energy: -25.804 Base-Backbone interact. energy: -0.136 local terms energy: -46.900197 where: bonds (distance) C4'-P energy: -14.309 bonds (distance) P-C4' energy: -13.106 flat angles C4'-P-C4' energy: -7.795 flat angles P-C4'-P energy: -5.700 tors. eta vs tors. theta energy: -5.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 292 Temperature: 0.900000 Total energy: -209.330619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.330619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.330619 (E_RNA) where: Base-Base interactions energy: -138.125 where: short stacking energy: -68.725 Base-Backbone interact. energy: -0.026 local terms energy: -71.179997 where: bonds (distance) C4'-P energy: -13.477 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -21.489 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: 2, replica: 9 ===================================== Write number: 292 Temperature: 0.950000 Total energy: -206.801912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.801912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.801912 (E_RNA) where: Base-Base interactions energy: -142.788 where: short stacking energy: -67.125 Base-Backbone interact. energy: -0.284 local terms energy: -63.730101 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -8.424 flat angles C4'-P-C4' energy: -12.210 flat angles P-C4'-P energy: -11.484 tors. eta vs tors. theta energy: -17.113 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: 3, replica: 4 ===================================== Write number: 292 Temperature: 1.000000 Total energy: -210.614895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.614895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.614895 (E_RNA) where: Base-Base interactions energy: -140.916 where: short stacking energy: -69.880 Base-Backbone interact. energy: -0.534 local terms energy: -69.165633 where: bonds (distance) C4'-P energy: -11.820 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -15.813 flat angles P-C4'-P energy: -7.726 tors. eta vs tors. theta energy: -19.705 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: 292 Temperature: 1.050000 Total energy: -198.970346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.970346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.970346 (E_RNA) where: Base-Base interactions energy: -124.864 where: short stacking energy: -59.464 Base-Backbone interact. energy: 0.021 local terms energy: -74.127703 where: bonds (distance) C4'-P energy: -10.802 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -15.560 flat angles P-C4'-P energy: -11.596 tors. eta vs tors. theta energy: -21.034 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 292 Temperature: 1.100000 Total energy: -175.810091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.810091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.810091 (E_RNA) where: Base-Base interactions energy: -114.686 where: short stacking energy: -51.580 Base-Backbone interact. energy: -0.044 local terms energy: -61.079767 where: bonds (distance) C4'-P energy: -9.196 bonds (distance) P-C4' energy: -14.129 flat angles C4'-P-C4' energy: -13.882 flat angles P-C4'-P energy: -6.663 tors. eta vs tors. theta energy: -17.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 292 Temperature: 1.150000 Total energy: -185.595899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.595899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.595899 (E_RNA) where: Base-Base interactions energy: -122.435 where: short stacking energy: -48.601 Base-Backbone interact. energy: -0.632 local terms energy: -62.528836 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -14.946 flat angles P-C4'-P energy: -6.614 tors. eta vs tors. theta energy: -17.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 292 Temperature: 1.200000 Total energy: -163.896351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.896351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.896351 (E_RNA) where: Base-Base interactions energy: -106.033 where: short stacking energy: -45.823 Base-Backbone interact. energy: -0.096 local terms energy: -57.767601 where: bonds (distance) C4'-P energy: -10.520 bonds (distance) P-C4' energy: -11.444 flat angles C4'-P-C4' energy: -15.847 flat angles P-C4'-P energy: -6.431 tors. eta vs tors. theta energy: -13.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 292 Temperature: 1.250000 Total energy: -164.430669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.430669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.430669 (E_RNA) where: Base-Base interactions energy: -108.355 where: short stacking energy: -40.711 Base-Backbone interact. energy: -0.221 local terms energy: -55.854634 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -12.990 flat angles C4'-P-C4' energy: -10.366 flat angles P-C4'-P energy: -12.082 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: 9, replica: 7 ===================================== Write number: 292 Temperature: 1.300000 Total energy: -78.089968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.089968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.089968 (E_RNA) where: Base-Base interactions energy: -31.379 where: short stacking energy: -26.914 Base-Backbone interact. energy: -0.026 local terms energy: -46.685097 where: bonds (distance) C4'-P energy: -15.136 bonds (distance) P-C4' energy: -12.804 flat angles C4'-P-C4' energy: -13.356 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: 1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 292 Temperature: 1.350000 Total energy: -80.749165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.749165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.749165 (E_RNA) where: Base-Base interactions energy: -33.878 where: short stacking energy: -31.487 Base-Backbone interact. energy: 0.062 local terms energy: -46.933086 where: bonds (distance) C4'-P energy: -9.399 bonds (distance) P-C4' energy: -14.327 flat angles C4'-P-C4' energy: -10.749 flat angles P-C4'-P energy: -8.771 tors. eta vs tors. theta energy: -3.687 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 293 Temperature: 0.900000 Total energy: -212.060834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.060834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.060834 (E_RNA) where: Base-Base interactions energy: -144.421 where: short stacking energy: -65.198 Base-Backbone interact. energy: -0.027 local terms energy: -67.612529 where: bonds (distance) C4'-P energy: -10.855 bonds (distance) P-C4' energy: -13.599 flat angles C4'-P-C4' energy: -13.327 flat angles P-C4'-P energy: -11.245 tors. eta vs tors. theta energy: -18.586 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: 2, replica: 4 ===================================== Write number: 293 Temperature: 0.950000 Total energy: -202.926881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.926881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.926881 (E_RNA) where: Base-Base interactions energy: -135.736 where: short stacking energy: -61.518 Base-Backbone interact. energy: -0.031 local terms energy: -67.159967 where: bonds (distance) C4'-P energy: -10.157 bonds (distance) P-C4' energy: -14.553 flat angles C4'-P-C4' energy: -14.876 flat angles P-C4'-P energy: -11.480 tors. eta vs tors. theta energy: -16.094 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: 293 Temperature: 1.000000 Total energy: -205.595105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.595105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.595105 (E_RNA) where: Base-Base interactions energy: -136.538 where: short stacking energy: -70.875 Base-Backbone interact. energy: -0.061 local terms energy: -68.996185 where: bonds (distance) C4'-P energy: -12.255 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -14.102 flat angles P-C4'-P energy: -10.273 tors. eta vs tors. theta energy: -18.633 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: 4, replica: 1 ===================================== Write number: 293 Temperature: 1.050000 Total energy: -197.317887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.317887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.317887 (E_RNA) where: Base-Base interactions energy: -136.000 where: short stacking energy: -63.251 Base-Backbone interact. energy: -0.005 local terms energy: -61.313291 where: bonds (distance) C4'-P energy: -9.072 bonds (distance) P-C4' energy: -14.244 flat angles C4'-P-C4' energy: -14.336 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -15.710 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 293 Temperature: 1.100000 Total energy: -176.811073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.811073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.811073 (E_RNA) where: Base-Base interactions energy: -118.316 where: short stacking energy: -53.855 Base-Backbone interact. energy: -0.047 local terms energy: -58.448053 where: bonds (distance) C4'-P energy: -7.924 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -14.711 flat angles P-C4'-P energy: -7.900 tors. eta vs tors. theta energy: -15.870 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 293 Temperature: 1.150000 Total energy: -190.378915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.378915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.378915 (E_RNA) where: Base-Base interactions energy: -127.699 where: short stacking energy: -61.989 Base-Backbone interact. energy: -0.000 local terms energy: -62.679259 where: bonds (distance) C4'-P energy: -14.785 bonds (distance) P-C4' energy: -12.042 flat angles C4'-P-C4' energy: -11.517 flat angles P-C4'-P energy: -5.377 tors. eta vs tors. theta energy: -18.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 293 Temperature: 1.200000 Total energy: -159.455911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.455911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.455911 (E_RNA) where: Base-Base interactions energy: -99.941 where: short stacking energy: -41.439 Base-Backbone interact. energy: 0.566 local terms energy: -60.080779 where: bonds (distance) C4'-P energy: -11.998 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -12.636 flat angles P-C4'-P energy: -9.788 tors. eta vs tors. theta energy: -9.971 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: 5 ===================================== Write number: 293 Temperature: 1.250000 Total energy: -145.268845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.268845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.268845 (E_RNA) where: Base-Base interactions energy: -93.459 where: short stacking energy: -42.295 Base-Backbone interact. energy: -0.278 local terms energy: -51.531638 where: bonds (distance) C4'-P energy: -11.914 bonds (distance) P-C4' energy: -8.529 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -7.288 tors. eta vs tors. theta energy: -10.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 293 Temperature: 1.300000 Total energy: -71.187505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.187505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.187505 (E_RNA) where: Base-Base interactions energy: -26.677 where: short stacking energy: -20.272 Base-Backbone interact. energy: -0.931 local terms energy: -43.579512 where: bonds (distance) C4'-P energy: -11.125 bonds (distance) P-C4' energy: -8.847 flat angles C4'-P-C4' energy: -12.480 flat angles P-C4'-P energy: -7.714 tors. eta vs tors. theta energy: -3.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 293 Temperature: 1.350000 Total energy: -83.440105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.440105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.440105 (E_RNA) where: Base-Base interactions energy: -37.764 where: short stacking energy: -37.764 Base-Backbone interact. energy: -0.006 local terms energy: -45.670580 where: bonds (distance) C4'-P energy: -9.278 bonds (distance) P-C4' energy: -11.436 flat angles C4'-P-C4' energy: -8.561 flat angles P-C4'-P energy: -10.015 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: 1, replica: 10 ===================================== Write number: 294 Temperature: 0.900000 Total energy: -219.469920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.469920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.469920 (E_RNA) where: Base-Base interactions energy: -140.984 where: short stacking energy: -69.812 Base-Backbone interact. energy: -0.001 local terms energy: -78.484477 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -14.834 flat angles C4'-P-C4' energy: -14.614 flat angles P-C4'-P energy: -12.660 tors. eta vs tors. theta energy: -21.010 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 294 Temperature: 0.950000 Total energy: -200.875427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.875427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.875427 (E_RNA) where: Base-Base interactions energy: -131.852 where: short stacking energy: -62.568 Base-Backbone interact. energy: -0.007 local terms energy: -69.016069 where: bonds (distance) C4'-P energy: -12.413 bonds (distance) P-C4' energy: -14.367 flat angles C4'-P-C4' energy: -13.479 flat angles P-C4'-P energy: -10.935 tors. eta vs tors. theta energy: -17.823 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: 294 Temperature: 1.000000 Total energy: -200.946815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.946815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.946815 (E_RNA) where: Base-Base interactions energy: -134.689 where: short stacking energy: -56.689 Base-Backbone interact. energy: -0.292 local terms energy: -65.965455 where: bonds (distance) C4'-P energy: -13.692 bonds (distance) P-C4' energy: -11.682 flat angles C4'-P-C4' energy: -14.176 flat angles P-C4'-P energy: -7.873 tors. eta vs tors. theta energy: -18.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 294 Temperature: 1.050000 Total energy: -200.257704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.257704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.257704 (E_RNA) where: Base-Base interactions energy: -135.550 where: short stacking energy: -63.527 Base-Backbone interact. energy: -0.008 local terms energy: -64.699364 where: bonds (distance) C4'-P energy: -10.784 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -14.133 flat angles P-C4'-P energy: -9.260 tors. eta vs tors. theta energy: -19.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 294 Temperature: 1.100000 Total energy: -200.357673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.357673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.357673 (E_RNA) where: Base-Base interactions energy: -132.851 where: short stacking energy: -60.023 Base-Backbone interact. energy: -0.000 local terms energy: -67.506569 where: bonds (distance) C4'-P energy: -11.687 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -11.341 flat angles P-C4'-P energy: -10.401 tors. eta vs tors. theta energy: -18.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 294 Temperature: 1.150000 Total energy: -170.428643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.428643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.428643 (E_RNA) where: Base-Base interactions energy: -113.010 where: short stacking energy: -56.354 Base-Backbone interact. energy: 1.034 local terms energy: -58.452618 where: bonds (distance) C4'-P energy: -8.997 bonds (distance) P-C4' energy: -15.019 flat angles C4'-P-C4' energy: -10.904 flat angles P-C4'-P energy: -10.382 tors. eta vs tors. theta energy: -13.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 294 Temperature: 1.200000 Total energy: -175.940268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.940268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.940268 (E_RNA) where: Base-Base interactions energy: -117.432 where: short stacking energy: -50.689 Base-Backbone interact. energy: -0.162 local terms energy: -58.346180 where: bonds (distance) C4'-P energy: -7.224 bonds (distance) P-C4' energy: -14.738 flat angles C4'-P-C4' energy: -13.529 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -11.454 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 294 Temperature: 1.250000 Total energy: -156.673669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.673669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.673669 (E_RNA) where: Base-Base interactions energy: -99.961 where: short stacking energy: -52.341 Base-Backbone interact. energy: -0.269 local terms energy: -56.443099 where: bonds (distance) C4'-P energy: -6.981 bonds (distance) P-C4' energy: -10.243 flat angles C4'-P-C4' energy: -12.963 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -15.164 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 294 Temperature: 1.300000 Total energy: -70.478354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.478354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.478354 (E_RNA) where: Base-Base interactions energy: -23.828 where: short stacking energy: -23.828 Base-Backbone interact. energy: -0.101 local terms energy: -46.548835 where: bonds (distance) C4'-P energy: -12.183 bonds (distance) P-C4' energy: -10.371 flat angles C4'-P-C4' energy: -14.932 flat angles P-C4'-P energy: -5.919 tors. eta vs tors. theta energy: -3.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 294 Temperature: 1.350000 Total energy: -69.694287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.694287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.694287 (E_RNA) where: Base-Base interactions energy: -29.104 where: short stacking energy: -29.104 Base-Backbone interact. energy: -0.088 local terms energy: -40.502314 where: bonds (distance) C4'-P energy: -10.250 bonds (distance) P-C4' energy: -10.345 flat angles C4'-P-C4' energy: -12.806 flat angles P-C4'-P energy: -6.351 tors. eta vs tors. theta energy: -0.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 295 Temperature: 0.900000 Total energy: -208.146317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.146317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.146317 (E_RNA) where: Base-Base interactions energy: -140.535 where: short stacking energy: -62.662 Base-Backbone interact. energy: -0.001 local terms energy: -67.610335 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -12.540 flat angles P-C4'-P energy: -9.688 tors. eta vs tors. theta energy: -17.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 295 Temperature: 0.950000 Total energy: -205.800514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.800514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.800514 (E_RNA) where: Base-Base interactions energy: -135.516 where: short stacking energy: -63.190 Base-Backbone interact. energy: -0.023 local terms energy: -70.260971 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -13.409 flat angles P-C4'-P energy: -11.227 tors. eta vs tors. theta energy: -18.718 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: 3, replica: 4 ===================================== Write number: 295 Temperature: 1.000000 Total energy: -202.224399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.224399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.224399 (E_RNA) where: Base-Base interactions energy: -134.908 where: short stacking energy: -62.874 Base-Backbone interact. energy: -0.099 local terms energy: -67.217291 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -12.795 flat angles C4'-P-C4' energy: -13.537 flat angles P-C4'-P energy: -8.564 tors. eta vs tors. theta energy: -18.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 295 Temperature: 1.050000 Total energy: -196.951532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.951532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.951532 (E_RNA) where: Base-Base interactions energy: -127.458 where: short stacking energy: -59.860 Base-Backbone interact. energy: -0.412 local terms energy: -69.081149 where: bonds (distance) C4'-P energy: -13.511 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -10.860 tors. eta vs tors. theta energy: -19.896 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: 6 ===================================== Write number: 295 Temperature: 1.100000 Total energy: -188.392068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.392068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.392068 (E_RNA) where: Base-Base interactions energy: -124.054 where: short stacking energy: -57.709 Base-Backbone interact. energy: -0.036 local terms energy: -64.301225 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -11.113 flat angles P-C4'-P energy: -8.476 tors. eta vs tors. theta energy: -16.040 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: 3 ===================================== Write number: 295 Temperature: 1.150000 Total energy: -178.792788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.792788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.792788 (E_RNA) where: Base-Base interactions energy: -113.968 where: short stacking energy: -61.012 Base-Backbone interact. energy: -0.009 local terms energy: -64.815930 where: bonds (distance) C4'-P energy: -12.131 bonds (distance) P-C4' energy: -13.242 flat angles C4'-P-C4' energy: -13.398 flat angles P-C4'-P energy: -9.043 tors. eta vs tors. theta energy: -17.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 295 Temperature: 1.200000 Total energy: -177.783518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.783518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.783518 (E_RNA) where: Base-Base interactions energy: -115.334 where: short stacking energy: -49.302 Base-Backbone interact. energy: 0.644 local terms energy: -63.093265 where: bonds (distance) C4'-P energy: -16.010 bonds (distance) P-C4' energy: -11.058 flat angles C4'-P-C4' energy: -13.775 flat angles P-C4'-P energy: -9.089 tors. eta vs tors. theta energy: -13.161 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: 8 ===================================== Write number: 295 Temperature: 1.250000 Total energy: -170.106185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.106185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.106185 (E_RNA) where: Base-Base interactions energy: -110.514 where: short stacking energy: -48.919 Base-Backbone interact. energy: -0.001 local terms energy: -59.592061 where: bonds (distance) C4'-P energy: -12.521 bonds (distance) P-C4' energy: -10.992 flat angles C4'-P-C4' energy: -16.385 flat angles P-C4'-P energy: -5.220 tors. eta vs tors. theta energy: -14.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 295 Temperature: 1.300000 Total energy: -87.618284 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.618284 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.618284 (E_RNA) where: Base-Base interactions energy: -45.879 where: short stacking energy: -22.286 Base-Backbone interact. energy: -0.047 local terms energy: -41.692782 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -16.894 flat angles C4'-P-C4' energy: -6.950 flat angles P-C4'-P energy: -5.164 tors. eta vs tors. theta energy: 0.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 295 Temperature: 1.350000 Total energy: -72.882059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.882059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.882059 (E_RNA) where: Base-Base interactions energy: -29.703 where: short stacking energy: -29.703 Base-Backbone interact. energy: -0.078 local terms energy: -43.101643 where: bonds (distance) C4'-P energy: -12.968 bonds (distance) P-C4' energy: -9.559 flat angles C4'-P-C4' energy: -10.275 flat angles P-C4'-P energy: -6.344 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: 1, replica: 9 ===================================== Write number: 296 Temperature: 0.900000 Total energy: -216.171140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.171140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.171140 (E_RNA) where: Base-Base interactions energy: -141.085 where: short stacking energy: -62.629 Base-Backbone interact. energy: -0.002 local terms energy: -75.084665 where: bonds (distance) C4'-P energy: -14.138 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -13.889 flat angles P-C4'-P energy: -10.581 tors. eta vs tors. theta energy: -21.421 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: 296 Temperature: 0.950000 Total energy: -201.378945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.378945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.378945 (E_RNA) where: Base-Base interactions energy: -137.367 where: short stacking energy: -61.139 Base-Backbone interact. energy: -0.078 local terms energy: -63.934133 where: bonds (distance) C4'-P energy: -12.844 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -7.704 tors. eta vs tors. theta energy: -15.502 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 296 Temperature: 1.000000 Total energy: -204.029871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.029871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.029871 (E_RNA) where: Base-Base interactions energy: -132.004 where: short stacking energy: -56.887 Base-Backbone interact. energy: 0.647 local terms energy: -72.672671 where: bonds (distance) C4'-P energy: -15.918 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -13.596 flat angles P-C4'-P energy: -10.728 tors. eta vs tors. theta energy: -16.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 296 Temperature: 1.050000 Total energy: -196.878610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.878610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.878610 (E_RNA) where: Base-Base interactions energy: -131.311 where: short stacking energy: -58.675 Base-Backbone interact. energy: -0.001 local terms energy: -65.566909 where: bonds (distance) C4'-P energy: -16.453 bonds (distance) P-C4' energy: -12.459 flat angles C4'-P-C4' energy: -13.002 flat angles P-C4'-P energy: -7.431 tors. eta vs tors. theta energy: -16.222 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: 6 ===================================== Write number: 296 Temperature: 1.100000 Total energy: -195.186252 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.186252 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.186252 (E_RNA) where: Base-Base interactions energy: -132.451 where: short stacking energy: -52.265 Base-Backbone interact. energy: -0.393 local terms energy: -62.341857 where: bonds (distance) C4'-P energy: -11.368 bonds (distance) P-C4' energy: -12.115 flat angles C4'-P-C4' energy: -16.870 flat angles P-C4'-P energy: -9.379 tors. eta vs tors. theta energy: -12.610 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 296 Temperature: 1.150000 Total energy: -170.108930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.108930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.108930 (E_RNA) where: Base-Base interactions energy: -109.954 where: short stacking energy: -57.470 Base-Backbone interact. energy: -0.100 local terms energy: -60.054755 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -14.171 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -8.285 tors. eta vs tors. theta energy: -14.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 296 Temperature: 1.200000 Total energy: -164.417788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.417788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.417788 (E_RNA) where: Base-Base interactions energy: -103.282 where: short stacking energy: -38.162 Base-Backbone interact. energy: -0.126 local terms energy: -61.009628 where: bonds (distance) C4'-P energy: -10.840 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -14.504 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -11.117 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 296 Temperature: 1.250000 Total energy: -175.401148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.401148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.401148 (E_RNA) where: Base-Base interactions energy: -111.836 where: short stacking energy: -53.046 Base-Backbone interact. energy: -0.018 local terms energy: -63.547720 where: bonds (distance) C4'-P energy: -12.627 bonds (distance) P-C4' energy: -10.549 flat angles C4'-P-C4' energy: -16.183 flat angles P-C4'-P energy: -7.750 tors. eta vs tors. theta energy: -16.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 296 Temperature: 1.300000 Total energy: -93.500784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.500784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.500784 (E_RNA) where: Base-Base interactions energy: -40.678 where: short stacking energy: -40.312 Base-Backbone interact. energy: -1.244 local terms energy: -51.578476 where: bonds (distance) C4'-P energy: -10.825 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -9.764 flat angles P-C4'-P energy: -6.205 tors. eta vs tors. theta energy: -9.243 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: 10, replica: 2 ===================================== Write number: 296 Temperature: 1.350000 Total energy: -74.923533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.923533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.923533 (E_RNA) where: Base-Base interactions energy: -27.914 where: short stacking energy: -25.926 Base-Backbone interact. energy: -0.102 local terms energy: -46.907380 where: bonds (distance) C4'-P energy: -12.714 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -12.857 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -3.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 297 Temperature: 0.900000 Total energy: -207.380330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.380330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.380330 (E_RNA) where: Base-Base interactions energy: -139.508 where: short stacking energy: -65.582 Base-Backbone interact. energy: -0.002 local terms energy: -67.870283 where: bonds (distance) C4'-P energy: -15.206 bonds (distance) P-C4' energy: -12.681 flat angles C4'-P-C4' energy: -12.458 flat angles P-C4'-P energy: -7.445 tors. eta vs tors. theta energy: -20.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 297 Temperature: 0.950000 Total energy: -205.873170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.873170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.873170 (E_RNA) where: Base-Base interactions energy: -140.406 where: short stacking energy: -64.256 Base-Backbone interact. energy: -0.577 local terms energy: -64.889478 where: bonds (distance) C4'-P energy: -15.847 bonds (distance) P-C4' energy: -11.121 flat angles C4'-P-C4' energy: -11.328 flat angles P-C4'-P energy: -8.820 tors. eta vs tors. theta energy: -17.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 297 Temperature: 1.000000 Total energy: -197.721509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.721509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.721509 (E_RNA) where: Base-Base interactions energy: -135.703 where: short stacking energy: -60.676 Base-Backbone interact. energy: -0.004 local terms energy: -62.014342 where: bonds (distance) C4'-P energy: -11.521 bonds (distance) P-C4' energy: -11.143 flat angles C4'-P-C4' energy: -14.944 flat angles P-C4'-P energy: -7.562 tors. eta vs tors. theta energy: -16.846 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: 297 Temperature: 1.050000 Total energy: -189.495011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.495011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.495011 (E_RNA) where: Base-Base interactions energy: -123.781 where: short stacking energy: -53.386 Base-Backbone interact. energy: -0.102 local terms energy: -65.612654 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -12.875 flat angles C4'-P-C4' energy: -13.931 flat angles P-C4'-P energy: -11.257 tors. eta vs tors. theta energy: -16.463 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: 4 ===================================== Write number: 297 Temperature: 1.100000 Total energy: -192.965312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.965312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.965312 (E_RNA) where: Base-Base interactions energy: -120.448 where: short stacking energy: -58.327 Base-Backbone interact. energy: -0.575 local terms energy: -71.942507 where: bonds (distance) C4'-P energy: -13.252 bonds (distance) P-C4' energy: -12.762 flat angles C4'-P-C4' energy: -13.365 flat angles P-C4'-P energy: -12.342 tors. eta vs tors. theta energy: -20.221 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: 8 ===================================== Write number: 297 Temperature: 1.150000 Total energy: -166.899110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.899110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.899110 (E_RNA) where: Base-Base interactions energy: -106.145 where: short stacking energy: -48.708 Base-Backbone interact. energy: 0.630 local terms energy: -61.384771 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -11.172 flat angles C4'-P-C4' energy: -13.693 flat angles P-C4'-P energy: -6.206 tors. eta vs tors. theta energy: -15.541 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 297 Temperature: 1.200000 Total energy: -171.745197 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.745197 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.745197 (E_RNA) where: Base-Base interactions energy: -109.888 where: short stacking energy: -57.108 Base-Backbone interact. energy: -0.003 local terms energy: -61.854549 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -10.820 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -11.229 tors. eta vs tors. theta energy: -16.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 297 Temperature: 1.250000 Total energy: -90.938205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.938205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.938205 (E_RNA) where: Base-Base interactions energy: -40.863 where: short stacking energy: -36.381 Base-Backbone interact. energy: -0.085 local terms energy: -49.990290 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -13.518 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -5.175 tors. eta vs tors. theta energy: -10.803 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: 9, replica: 5 ===================================== Write number: 297 Temperature: 1.300000 Total energy: -164.342916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.342916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.342916 (E_RNA) where: Base-Base interactions energy: -106.093 where: short stacking energy: -47.503 Base-Backbone interact. energy: -0.087 local terms energy: -58.163155 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -12.295 flat angles C4'-P-C4' energy: -12.019 flat angles P-C4'-P energy: -8.660 tors. eta vs tors. theta energy: -13.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 297 Temperature: 1.350000 Total energy: -82.346884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.346884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.346884 (E_RNA) where: Base-Base interactions energy: -36.944 where: short stacking energy: -36.944 Base-Backbone interact. energy: -0.127 local terms energy: -45.276000 where: bonds (distance) C4'-P energy: -5.668 bonds (distance) P-C4' energy: -12.390 flat angles C4'-P-C4' energy: -12.226 flat angles P-C4'-P energy: -8.698 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: 1, replica: 9 ===================================== Write number: 298 Temperature: 0.900000 Total energy: -210.735488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.735488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.735488 (E_RNA) where: Base-Base interactions energy: -136.599 where: short stacking energy: -61.693 Base-Backbone interact. energy: -0.177 local terms energy: -73.959604 where: bonds (distance) C4'-P energy: -14.677 bonds (distance) P-C4' energy: -14.859 flat angles C4'-P-C4' energy: -15.107 flat angles P-C4'-P energy: -10.926 tors. eta vs tors. theta energy: -18.391 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 298 Temperature: 0.950000 Total energy: -200.942264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.942264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.942264 (E_RNA) where: Base-Base interactions energy: -135.968 where: short stacking energy: -61.313 Base-Backbone interact. energy: -0.012 local terms energy: -64.963054 where: bonds (distance) C4'-P energy: -10.007 bonds (distance) P-C4' energy: -16.150 flat angles C4'-P-C4' energy: -10.751 flat angles P-C4'-P energy: -10.403 tors. eta vs tors. theta energy: -17.653 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: 6 ===================================== Write number: 298 Temperature: 1.000000 Total energy: -199.914809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.914809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.914809 (E_RNA) where: Base-Base interactions energy: -130.931 where: short stacking energy: -53.798 Base-Backbone interact. energy: -0.626 local terms energy: -68.357449 where: bonds (distance) C4'-P energy: -13.465 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -14.125 flat angles P-C4'-P energy: -10.067 tors. eta vs tors. theta energy: -15.865 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: 4, replica: 10 ===================================== Write number: 298 Temperature: 1.050000 Total energy: -198.253582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.253582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.253582 (E_RNA) where: Base-Base interactions energy: -133.734 where: short stacking energy: -63.085 Base-Backbone interact. energy: -0.004 local terms energy: -64.515897 where: bonds (distance) C4'-P energy: -12.403 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -8.538 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -20.729 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 298 Temperature: 1.100000 Total energy: -166.986262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.986262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.986262 (E_RNA) where: Base-Base interactions energy: -109.565 where: short stacking energy: -49.129 Base-Backbone interact. energy: -0.156 local terms energy: -57.265347 where: bonds (distance) C4'-P energy: -9.333 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -14.602 flat angles P-C4'-P energy: -5.830 tors. eta vs tors. theta energy: -14.515 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: 4 ===================================== Write number: 298 Temperature: 1.150000 Total energy: -181.096979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.096979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.096979 (E_RNA) where: Base-Base interactions energy: -118.759 where: short stacking energy: -54.877 Base-Backbone interact. energy: -0.006 local terms energy: -62.332144 where: bonds (distance) C4'-P energy: -12.810 bonds (distance) P-C4' energy: -7.896 flat angles C4'-P-C4' energy: -14.766 flat angles P-C4'-P energy: -12.925 tors. eta vs tors. theta energy: -13.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 298 Temperature: 1.200000 Total energy: -160.253108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.253108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.253108 (E_RNA) where: Base-Base interactions energy: -100.895 where: short stacking energy: -47.146 Base-Backbone interact. energy: -0.278 local terms energy: -59.079567 where: bonds (distance) C4'-P energy: -14.239 bonds (distance) P-C4' energy: -8.855 flat angles C4'-P-C4' energy: -14.193 flat angles P-C4'-P energy: -9.342 tors. eta vs tors. theta energy: -12.451 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 298 Temperature: 1.250000 Total energy: -79.620956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.620956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.620956 (E_RNA) where: Base-Base interactions energy: -38.366 where: short stacking energy: -31.198 Base-Backbone interact. energy: 1.533 local terms energy: -42.787514 where: bonds (distance) C4'-P energy: -11.108 bonds (distance) P-C4' energy: -15.684 flat angles C4'-P-C4' energy: -7.367 flat angles P-C4'-P energy: -3.773 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: 9, replica: 5 ===================================== Write number: 298 Temperature: 1.300000 Total energy: -175.759766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.759766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.759766 (E_RNA) where: Base-Base interactions energy: -108.342 where: short stacking energy: -49.284 Base-Backbone interact. energy: 1.710 local terms energy: -69.127924 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -15.385 flat angles P-C4'-P energy: -11.513 tors. eta vs tors. theta energy: -14.526 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: 10, replica: 2 ===================================== Write number: 298 Temperature: 1.350000 Total energy: -70.793194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.793194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.793194 (E_RNA) where: Base-Base interactions energy: -30.019 where: short stacking energy: -22.341 Base-Backbone interact. energy: -0.041 local terms energy: -40.732827 where: bonds (distance) C4'-P energy: -14.063 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -11.208 flat angles P-C4'-P energy: -2.422 tors. eta vs tors. theta energy: 0.943 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 299 Temperature: 0.900000 Total energy: -212.687328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.687328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.687328 (E_RNA) where: Base-Base interactions energy: -143.417 where: short stacking energy: -69.300 Base-Backbone interact. energy: -0.238 local terms energy: -69.032189 where: bonds (distance) C4'-P energy: -13.108 bonds (distance) P-C4' energy: -13.432 flat angles C4'-P-C4' energy: -9.945 flat angles P-C4'-P energy: -11.536 tors. eta vs tors. theta energy: -21.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 299 Temperature: 0.950000 Total energy: -201.893393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.893393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.893393 (E_RNA) where: Base-Base interactions energy: -136.218 where: short stacking energy: -63.337 Base-Backbone interact. energy: -0.002 local terms energy: -65.673444 where: bonds (distance) C4'-P energy: -12.693 bonds (distance) P-C4' energy: -11.502 flat angles C4'-P-C4' energy: -13.399 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -18.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 299 Temperature: 1.000000 Total energy: -192.354272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.354272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.354272 (E_RNA) where: Base-Base interactions energy: -127.152 where: short stacking energy: -53.394 Base-Backbone interact. energy: -0.006 local terms energy: -65.196596 where: bonds (distance) C4'-P energy: -11.696 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -9.485 tors. eta vs tors. theta energy: -15.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 299 Temperature: 1.050000 Total energy: -187.968322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.968322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.968322 (E_RNA) where: Base-Base interactions energy: -126.407 where: short stacking energy: -51.541 Base-Backbone interact. energy: -0.244 local terms energy: -61.316958 where: bonds (distance) C4'-P energy: -13.580 bonds (distance) P-C4' energy: -12.929 flat angles C4'-P-C4' energy: -13.282 flat angles P-C4'-P energy: -7.197 tors. eta vs tors. theta energy: -14.330 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 8 ===================================== Write number: 299 Temperature: 1.100000 Total energy: -157.786442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.786442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.786442 (E_RNA) where: Base-Base interactions energy: -94.967 where: short stacking energy: -46.653 Base-Backbone interact. energy: -0.029 local terms energy: -62.790525 where: bonds (distance) C4'-P energy: -13.828 bonds (distance) P-C4' energy: -13.723 flat angles C4'-P-C4' energy: -15.760 flat angles P-C4'-P energy: -8.699 tors. eta vs tors. theta energy: -10.781 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: 4 ===================================== Write number: 299 Temperature: 1.150000 Total energy: -190.701290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.701290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.701290 (E_RNA) where: Base-Base interactions energy: -129.377 where: short stacking energy: -53.610 Base-Backbone interact. energy: -0.099 local terms energy: -61.225496 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -10.475 flat angles P-C4'-P energy: -10.694 tors. eta vs tors. theta energy: -13.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 299 Temperature: 1.200000 Total energy: -162.048609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.048609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.048609 (E_RNA) where: Base-Base interactions energy: -99.549 where: short stacking energy: -46.237 Base-Backbone interact. energy: -0.486 local terms energy: -62.014001 where: bonds (distance) C4'-P energy: -14.101 bonds (distance) P-C4' energy: -12.548 flat angles C4'-P-C4' energy: -9.708 flat angles P-C4'-P energy: -10.650 tors. eta vs tors. theta energy: -15.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 299 Temperature: 1.250000 Total energy: -180.682591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.682591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.682591 (E_RNA) where: Base-Base interactions energy: -115.232 where: short stacking energy: -54.931 Base-Backbone interact. energy: -0.316 local terms energy: -65.134033 where: bonds (distance) C4'-P energy: -11.068 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -14.671 flat angles P-C4'-P energy: -9.866 tors. eta vs tors. theta energy: -13.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 299 Temperature: 1.300000 Total energy: -74.012812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.012812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.012812 (E_RNA) where: Base-Base interactions energy: -24.594 where: short stacking energy: -21.743 Base-Backbone interact. energy: 1.347 local terms energy: -50.766010 where: bonds (distance) C4'-P energy: -15.224 bonds (distance) P-C4' energy: -12.009 flat angles C4'-P-C4' energy: -12.876 flat angles P-C4'-P energy: -8.053 tors. eta vs tors. theta energy: -2.604 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 2 ===================================== Write number: 299 Temperature: 1.350000 Total energy: -69.677055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.677055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.677055 (E_RNA) where: Base-Base interactions energy: -32.918 where: short stacking energy: -24.196 Base-Backbone interact. energy: -0.103 local terms energy: -36.656014 where: bonds (distance) C4'-P energy: -8.313 bonds (distance) P-C4' energy: -13.137 flat angles C4'-P-C4' energy: -10.393 flat angles P-C4'-P energy: -4.413 tors. eta vs tors. theta energy: -0.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 300 Temperature: 0.900000 Total energy: -206.896872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.896872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.896872 (E_RNA) where: Base-Base interactions energy: -141.215 where: short stacking energy: -64.758 Base-Backbone interact. energy: -0.004 local terms energy: -65.677254 where: bonds (distance) C4'-P energy: -10.805 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -11.558 flat angles P-C4'-P energy: -9.708 tors. eta vs tors. theta energy: -20.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 300 Temperature: 0.950000 Total energy: -207.602712 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.602712 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.602712 (E_RNA) where: Base-Base interactions energy: -139.603 where: short stacking energy: -61.520 Base-Backbone interact. energy: -0.001 local terms energy: -67.999349 where: bonds (distance) C4'-P energy: -9.929 bonds (distance) P-C4' energy: -13.225 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -10.609 tors. eta vs tors. theta energy: -19.064 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 300 Temperature: 1.000000 Total energy: -194.111086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.111086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.111086 (E_RNA) where: Base-Base interactions energy: -126.022 where: short stacking energy: -59.758 Base-Backbone interact. energy: -0.086 local terms energy: -68.003529 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -12.565 flat angles C4'-P-C4' energy: -15.243 flat angles P-C4'-P energy: -10.880 tors. eta vs tors. theta energy: -14.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 300 Temperature: 1.050000 Total energy: -187.466467 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.466467 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.466467 (E_RNA) where: Base-Base interactions energy: -126.083 where: short stacking energy: -55.653 Base-Backbone interact. energy: -0.023 local terms energy: -61.359915 where: bonds (distance) C4'-P energy: -13.651 bonds (distance) P-C4' energy: -10.341 flat angles C4'-P-C4' energy: -16.119 flat angles P-C4'-P energy: -6.150 tors. eta vs tors. theta energy: -15.099 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: 4 ===================================== Write number: 300 Temperature: 1.100000 Total energy: -184.079698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.079698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.079698 (E_RNA) where: Base-Base interactions energy: -124.396 where: short stacking energy: -61.625 Base-Backbone interact. energy: -0.014 local terms energy: -59.669184 where: bonds (distance) C4'-P energy: -12.818 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -15.213 flat angles P-C4'-P energy: -5.795 tors. eta vs tors. theta energy: -11.688 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: 8 ===================================== Write number: 300 Temperature: 1.150000 Total energy: -167.908446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.908446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.908446 (E_RNA) where: Base-Base interactions energy: -101.840 where: short stacking energy: -41.950 Base-Backbone interact. energy: -0.095 local terms energy: -65.972941 where: bonds (distance) C4'-P energy: -13.949 bonds (distance) P-C4' energy: -16.643 flat angles C4'-P-C4' energy: -12.231 flat angles P-C4'-P energy: -8.746 tors. eta vs tors. theta energy: -14.404 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 300 Temperature: 1.200000 Total energy: -166.533115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.533115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.533115 (E_RNA) where: Base-Base interactions energy: -111.523 where: short stacking energy: -56.918 Base-Backbone interact. energy: -0.468 local terms energy: -54.541974 where: bonds (distance) C4'-P energy: -10.206 bonds (distance) P-C4' energy: -13.456 flat angles C4'-P-C4' energy: -10.917 flat angles P-C4'-P energy: -6.440 tors. eta vs tors. theta energy: -13.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 300 Temperature: 1.250000 Total energy: -157.974143 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.974143 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.974143 (E_RNA) where: Base-Base interactions energy: -104.377 where: short stacking energy: -53.645 Base-Backbone interact. energy: -0.037 local terms energy: -53.559949 where: bonds (distance) C4'-P energy: -11.062 bonds (distance) P-C4' energy: -11.717 flat angles C4'-P-C4' energy: -12.247 flat angles P-C4'-P energy: -4.673 tors. eta vs tors. theta energy: -13.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 2 ===================================== Write number: 300 Temperature: 1.300000 Total energy: -79.114360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.114360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.114360 (E_RNA) where: Base-Base interactions energy: -31.214 where: short stacking energy: -31.214 Base-Backbone interact. energy: -0.187 local terms energy: -47.713733 where: bonds (distance) C4'-P energy: -12.631 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -8.086 flat angles P-C4'-P energy: -6.027 tors. eta vs tors. theta energy: -6.317 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: 10, replica: 7 ===================================== Write number: 300 Temperature: 1.350000 Total energy: -68.560801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.560801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.560801 (E_RNA) where: Base-Base interactions energy: -26.588 where: short stacking energy: -19.888 Base-Backbone interact. energy: -0.126 local terms energy: -41.846867 where: bonds (distance) C4'-P energy: -8.691 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -9.954 flat angles P-C4'-P energy: -8.330 tors. eta vs tors. theta energy: 0.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 301 Temperature: 0.900000 Total energy: -209.534169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.534169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.534169 (E_RNA) where: Base-Base interactions energy: -135.788 where: short stacking energy: -63.873 Base-Backbone interact. energy: -0.001 local terms energy: -73.744880 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -16.646 flat angles P-C4'-P energy: -10.617 tors. eta vs tors. theta energy: -17.453 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 301 Temperature: 0.950000 Total energy: -211.226981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.226981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.226981 (E_RNA) where: Base-Base interactions energy: -139.636 where: short stacking energy: -69.050 Base-Backbone interact. energy: -0.003 local terms energy: -71.588317 where: bonds (distance) C4'-P energy: -13.786 bonds (distance) P-C4' energy: -14.457 flat angles C4'-P-C4' energy: -13.105 flat angles P-C4'-P energy: -10.919 tors. eta vs tors. theta energy: -19.321 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 301 Temperature: 1.000000 Total energy: -203.528461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.528461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.528461 (E_RNA) where: Base-Base interactions energy: -137.207 where: short stacking energy: -65.062 Base-Backbone interact. energy: -0.004 local terms energy: -66.317550 where: bonds (distance) C4'-P energy: -10.681 bonds (distance) P-C4' energy: -13.308 flat angles C4'-P-C4' energy: -14.795 flat angles P-C4'-P energy: -9.184 tors. eta vs tors. theta energy: -18.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 301 Temperature: 1.050000 Total energy: -201.613474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.613474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.613474 (E_RNA) where: Base-Base interactions energy: -129.619 where: short stacking energy: -63.233 Base-Backbone interact. energy: -0.488 local terms energy: -71.507151 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -15.952 flat angles C4'-P-C4' energy: -11.230 flat angles P-C4'-P energy: -9.621 tors. eta vs tors. theta energy: -21.182 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 301 Temperature: 1.100000 Total energy: -176.713579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.713579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.713579 (E_RNA) where: Base-Base interactions energy: -116.258 where: short stacking energy: -49.688 Base-Backbone interact. energy: -0.023 local terms energy: -60.432485 where: bonds (distance) C4'-P energy: -9.312 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -8.780 tors. eta vs tors. theta energy: -14.386 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 301 Temperature: 1.150000 Total energy: -175.959373 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.959373 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.959373 (E_RNA) where: Base-Base interactions energy: -121.244 where: short stacking energy: -55.322 Base-Backbone interact. energy: -0.009 local terms energy: -54.707157 where: bonds (distance) C4'-P energy: -7.544 bonds (distance) P-C4' energy: -12.047 flat angles C4'-P-C4' energy: -10.222 flat angles P-C4'-P energy: -10.355 tors. eta vs tors. theta energy: -14.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 301 Temperature: 1.200000 Total energy: -152.999688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.999688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.999688 (E_RNA) where: Base-Base interactions energy: -103.757 where: short stacking energy: -45.154 Base-Backbone interact. energy: -0.118 local terms energy: -49.124447 where: bonds (distance) C4'-P energy: -6.748 bonds (distance) P-C4' energy: -14.641 flat angles C4'-P-C4' energy: -7.011 flat angles P-C4'-P energy: -7.150 tors. eta vs tors. theta energy: -13.574 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 301 Temperature: 1.250000 Total energy: -83.212977 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.212977 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.212977 (E_RNA) where: Base-Base interactions energy: -38.562 where: short stacking energy: -37.481 Base-Backbone interact. energy: -0.112 local terms energy: -44.539027 where: bonds (distance) C4'-P energy: -11.732 bonds (distance) P-C4' energy: -12.240 flat angles C4'-P-C4' energy: -12.850 flat angles P-C4'-P energy: -3.711 tors. eta vs tors. theta energy: -4.006 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 301 Temperature: 1.300000 Total energy: -160.877722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.877722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.877722 (E_RNA) where: Base-Base interactions energy: -101.700 where: short stacking energy: -47.039 Base-Backbone interact. energy: -0.115 local terms energy: -59.062675 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -8.232 flat angles C4'-P-C4' energy: -12.879 flat angles P-C4'-P energy: -10.970 tors. eta vs tors. theta energy: -13.983 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: 301 Temperature: 1.350000 Total energy: -66.795281 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.795281 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.795281 (E_RNA) where: Base-Base interactions energy: -23.112 where: short stacking energy: -23.112 Base-Backbone interact. energy: -0.142 local terms energy: -43.541080 where: bonds (distance) C4'-P energy: -9.071 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -13.037 flat angles P-C4'-P energy: -5.540 tors. eta vs tors. theta energy: -2.213 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 302 Temperature: 0.900000 Total energy: -204.342839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.342839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.342839 (E_RNA) where: Base-Base interactions energy: -134.502 where: short stacking energy: -62.789 Base-Backbone interact. energy: -0.102 local terms energy: -69.739048 where: bonds (distance) C4'-P energy: -14.764 bonds (distance) P-C4' energy: -12.616 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -10.718 tors. eta vs tors. theta energy: -16.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 302 Temperature: 0.950000 Total energy: -205.220583 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.220583 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.220583 (E_RNA) where: Base-Base interactions energy: -134.782 where: short stacking energy: -65.366 Base-Backbone interact. energy: -0.006 local terms energy: -70.432367 where: bonds (distance) C4'-P energy: -12.846 bonds (distance) P-C4' energy: -13.249 flat angles C4'-P-C4' energy: -14.334 flat angles P-C4'-P energy: -10.431 tors. eta vs tors. theta energy: -19.572 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: 3, replica: 1 ===================================== Write number: 302 Temperature: 1.000000 Total energy: -197.620267 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.620267 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.620267 (E_RNA) where: Base-Base interactions energy: -125.690 where: short stacking energy: -65.938 Base-Backbone interact. energy: -0.005 local terms energy: -71.925271 where: bonds (distance) C4'-P energy: -14.275 bonds (distance) P-C4' energy: -14.070 flat angles C4'-P-C4' energy: -14.957 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -20.069 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: 10 ===================================== Write number: 302 Temperature: 1.050000 Total energy: -198.005658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.005658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.005658 (E_RNA) where: Base-Base interactions energy: -130.213 where: short stacking energy: -61.380 Base-Backbone interact. energy: -0.332 local terms energy: -67.460189 where: bonds (distance) C4'-P energy: -12.578 bonds (distance) P-C4' energy: -13.843 flat angles C4'-P-C4' energy: -13.084 flat angles P-C4'-P energy: -9.459 tors. eta vs tors. theta energy: -18.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 302 Temperature: 1.100000 Total energy: -191.148960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.148960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.148960 (E_RNA) where: Base-Base interactions energy: -124.808 where: short stacking energy: -54.635 Base-Backbone interact. energy: -0.082 local terms energy: -66.259147 where: bonds (distance) C4'-P energy: -14.544 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -5.865 tors. eta vs tors. theta energy: -17.640 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 302 Temperature: 1.150000 Total energy: -177.686092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.686092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.686092 (E_RNA) where: Base-Base interactions energy: -118.815 where: short stacking energy: -55.633 Base-Backbone interact. energy: -1.413 local terms energy: -57.458511 where: bonds (distance) C4'-P energy: -10.235 bonds (distance) P-C4' energy: -13.179 flat angles C4'-P-C4' energy: -12.789 flat angles P-C4'-P energy: -11.047 tors. eta vs tors. theta energy: -10.208 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: 8 ===================================== Write number: 302 Temperature: 1.200000 Total energy: -135.087857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -135.087857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -135.087857 (E_RNA) where: Base-Base interactions energy: -81.317 where: short stacking energy: -40.078 Base-Backbone interact. energy: -0.153 local terms energy: -53.617711 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -12.208 flat angles P-C4'-P energy: -9.378 tors. eta vs tors. theta energy: -8.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 302 Temperature: 1.250000 Total energy: -82.462603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.462603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.462603 (E_RNA) where: Base-Base interactions energy: -35.261 where: short stacking energy: -31.825 Base-Backbone interact. energy: -0.079 local terms energy: -47.122986 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -14.565 flat angles C4'-P-C4' energy: -8.565 flat angles P-C4'-P energy: -4.719 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: 9, replica: 7 ===================================== Write number: 302 Temperature: 1.300000 Total energy: -70.922717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.922717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.922717 (E_RNA) where: Base-Base interactions energy: -25.738 where: short stacking energy: -25.626 Base-Backbone interact. energy: -0.100 local terms energy: -45.084171 where: bonds (distance) C4'-P energy: -14.081 bonds (distance) P-C4' energy: -13.154 flat angles C4'-P-C4' energy: -10.919 flat angles P-C4'-P energy: -0.322 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: 10, replica: 3 ===================================== Write number: 302 Temperature: 1.350000 Total energy: -142.410415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -142.410415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -142.410415 (E_RNA) where: Base-Base interactions energy: -91.873 where: short stacking energy: -40.555 Base-Backbone interact. energy: -0.079 local terms energy: -50.458621 where: bonds (distance) C4'-P energy: -8.499 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -13.296 flat angles P-C4'-P energy: -10.334 tors. eta vs tors. theta energy: -3.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 303 Temperature: 0.900000 Total energy: -203.748130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.748130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.748130 (E_RNA) where: Base-Base interactions energy: -135.299 where: short stacking energy: -65.753 Base-Backbone interact. energy: -0.000 local terms energy: -68.449294 where: bonds (distance) C4'-P energy: -13.384 bonds (distance) P-C4' energy: -15.694 flat angles C4'-P-C4' energy: -10.443 flat angles P-C4'-P energy: -9.524 tors. eta vs tors. theta energy: -19.404 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: 1 ===================================== Write number: 303 Temperature: 0.950000 Total energy: -203.446754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.446754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.446754 (E_RNA) where: Base-Base interactions energy: -138.675 where: short stacking energy: -70.224 Base-Backbone interact. energy: -0.045 local terms energy: -64.726788 where: bonds (distance) C4'-P energy: -15.847 bonds (distance) P-C4' energy: -8.464 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -11.471 tors. eta vs tors. theta energy: -17.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 303 Temperature: 1.000000 Total energy: -180.279686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.279686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.279686 (E_RNA) where: Base-Base interactions energy: -115.920 where: short stacking energy: -52.620 Base-Backbone interact. energy: -0.674 local terms energy: -63.685850 where: bonds (distance) C4'-P energy: -13.883 bonds (distance) P-C4' energy: -13.311 flat angles C4'-P-C4' energy: -15.048 flat angles P-C4'-P energy: -8.019 tors. eta vs tors. theta energy: -13.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 303 Temperature: 1.050000 Total energy: -200.312136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.312136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.312136 (E_RNA) where: Base-Base interactions energy: -134.300 where: short stacking energy: -62.437 Base-Backbone interact. energy: -0.000 local terms energy: -66.011819 where: bonds (distance) C4'-P energy: -12.163 bonds (distance) P-C4' energy: -11.985 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -9.968 tors. eta vs tors. theta energy: -19.566 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 303 Temperature: 1.100000 Total energy: -192.070355 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.070355 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.070355 (E_RNA) where: Base-Base interactions energy: -128.817 where: short stacking energy: -57.682 Base-Backbone interact. energy: -0.003 local terms energy: -63.249886 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -13.081 flat angles C4'-P-C4' energy: -12.662 flat angles P-C4'-P energy: -9.440 tors. eta vs tors. theta energy: -15.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 303 Temperature: 1.150000 Total energy: -190.430602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.430602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.430602 (E_RNA) where: Base-Base interactions energy: -128.926 where: short stacking energy: -59.052 Base-Backbone interact. energy: -0.002 local terms energy: -61.501979 where: bonds (distance) C4'-P energy: -12.582 bonds (distance) P-C4' energy: -9.450 flat angles C4'-P-C4' energy: -13.104 flat angles P-C4'-P energy: -10.936 tors. eta vs tors. theta energy: -15.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 8 ===================================== Write number: 303 Temperature: 1.200000 Total energy: -145.513545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.513545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.513545 (E_RNA) where: Base-Base interactions energy: -98.895 where: short stacking energy: -44.918 Base-Backbone interact. energy: 2.499 local terms energy: -49.116911 where: bonds (distance) C4'-P energy: -9.493 bonds (distance) P-C4' energy: -12.845 flat angles C4'-P-C4' energy: -6.854 flat angles P-C4'-P energy: -7.647 tors. eta vs tors. theta energy: -12.277 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: 2 ===================================== Write number: 303 Temperature: 1.250000 Total energy: -145.029336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.029336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.029336 (E_RNA) where: Base-Base interactions energy: -91.083 where: short stacking energy: -35.191 Base-Backbone interact. energy: -0.520 local terms energy: -53.425695 where: bonds (distance) C4'-P energy: -13.521 bonds (distance) P-C4' energy: -12.436 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -9.164 tors. eta vs tors. theta energy: -4.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 303 Temperature: 1.300000 Total energy: -83.376245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.376245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.376245 (E_RNA) where: Base-Base interactions energy: -33.374 where: short stacking energy: -32.828 Base-Backbone interact. energy: 0.410 local terms energy: -50.412028 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -10.687 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -5.033 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 303 Temperature: 1.350000 Total energy: -88.139917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.139917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.139917 (E_RNA) where: Base-Base interactions energy: -58.519 where: short stacking energy: -28.666 Base-Backbone interact. energy: -0.227 local terms energy: -29.393347 where: bonds (distance) C4'-P energy: -4.865 bonds (distance) P-C4' energy: -8.851 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -3.732 tors. eta vs tors. theta energy: 0.699 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: 1, replica: 1 ===================================== Write number: 304 Temperature: 0.900000 Total energy: -208.181869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.181869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.181869 (E_RNA) where: Base-Base interactions energy: -135.084 where: short stacking energy: -62.355 Base-Backbone interact. energy: -0.240 local terms energy: -72.857743 where: bonds (distance) C4'-P energy: -11.584 bonds (distance) P-C4' energy: -15.788 flat angles C4'-P-C4' energy: -14.874 flat angles P-C4'-P energy: -10.340 tors. eta vs tors. theta energy: -20.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 304 Temperature: 0.950000 Total energy: -200.709484 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.709484 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.709484 (E_RNA) where: Base-Base interactions energy: -133.035 where: short stacking energy: -65.139 Base-Backbone interact. energy: -0.006 local terms energy: -67.667990 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -11.780 flat angles C4'-P-C4' energy: -15.610 flat angles P-C4'-P energy: -8.728 tors. eta vs tors. theta energy: -19.974 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: 5 ===================================== Write number: 304 Temperature: 1.000000 Total energy: -198.894500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.894500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.894500 (E_RNA) where: Base-Base interactions energy: -132.349 where: short stacking energy: -61.068 Base-Backbone interact. energy: -0.141 local terms energy: -66.404331 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -7.379 tors. eta vs tors. theta energy: -16.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 304 Temperature: 1.050000 Total energy: -177.604217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.604217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.604217 (E_RNA) where: Base-Base interactions energy: -119.312 where: short stacking energy: -48.415 Base-Backbone interact. energy: -0.087 local terms energy: -58.205183 where: bonds (distance) C4'-P energy: -10.711 bonds (distance) P-C4' energy: -14.378 flat angles C4'-P-C4' energy: -13.401 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -11.717 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: 5, replica: 4 ===================================== Write number: 304 Temperature: 1.100000 Total energy: -178.371350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.371350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.371350 (E_RNA) where: Base-Base interactions energy: -114.192 where: short stacking energy: -51.761 Base-Backbone interact. energy: -0.208 local terms energy: -63.972048 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -12.292 flat angles P-C4'-P energy: -11.896 tors. eta vs tors. theta energy: -12.585 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: 304 Temperature: 1.150000 Total energy: -174.846745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.846745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.846745 (E_RNA) where: Base-Base interactions energy: -116.087 where: short stacking energy: -52.014 Base-Backbone interact. energy: -0.376 local terms energy: -58.383556 where: bonds (distance) C4'-P energy: -12.774 bonds (distance) P-C4' energy: -12.908 flat angles C4'-P-C4' energy: -14.995 flat angles P-C4'-P energy: -5.708 tors. eta vs tors. theta energy: -11.999 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: 7, replica: 2 ===================================== Write number: 304 Temperature: 1.200000 Total energy: -154.408481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.408481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.408481 (E_RNA) where: Base-Base interactions energy: -100.004 where: short stacking energy: -44.331 Base-Backbone interact. energy: 0.585 local terms energy: -54.989195 where: bonds (distance) C4'-P energy: -10.367 bonds (distance) P-C4' energy: -13.018 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -8.439 tors. eta vs tors. theta energy: -11.233 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 304 Temperature: 1.250000 Total energy: -155.299300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.299300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.299300 (E_RNA) where: Base-Base interactions energy: -96.781 where: short stacking energy: -46.984 Base-Backbone interact. energy: -0.002 local terms energy: -58.516729 where: bonds (distance) C4'-P energy: -13.446 bonds (distance) P-C4' energy: -9.122 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -9.875 tors. eta vs tors. theta energy: -11.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 304 Temperature: 1.300000 Total energy: -81.656462 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.656462 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.656462 (E_RNA) where: Base-Base interactions energy: -29.691 where: short stacking energy: -28.137 Base-Backbone interact. energy: -0.161 local terms energy: -51.804976 where: bonds (distance) C4'-P energy: -13.120 bonds (distance) P-C4' energy: -14.237 flat angles C4'-P-C4' energy: -13.392 flat angles P-C4'-P energy: -7.935 tors. eta vs tors. theta energy: -3.121 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 304 Temperature: 1.350000 Total energy: -79.067524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.067524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.067524 (E_RNA) where: Base-Base interactions energy: -29.369 where: short stacking energy: -15.178 Base-Backbone interact. energy: -0.063 local terms energy: -49.636090 where: bonds (distance) C4'-P energy: -12.155 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -9.075 flat angles P-C4'-P energy: -9.726 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: 1 ===================================== Write number: 305 Temperature: 0.900000 Total energy: -211.596756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.596756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.596756 (E_RNA) where: Base-Base interactions energy: -143.360 where: short stacking energy: -66.040 Base-Backbone interact. energy: -0.011 local terms energy: -68.225651 where: bonds (distance) C4'-P energy: -12.358 bonds (distance) P-C4' energy: -14.997 flat angles C4'-P-C4' energy: -11.853 flat angles P-C4'-P energy: -11.829 tors. eta vs tors. theta energy: -17.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 305 Temperature: 0.950000 Total energy: -211.559172 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.559172 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.559172 (E_RNA) where: Base-Base interactions energy: -134.834 where: short stacking energy: -64.946 Base-Backbone interact. energy: -0.011 local terms energy: -76.714444 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -15.733 flat angles P-C4'-P energy: -12.213 tors. eta vs tors. theta energy: -20.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 305 Temperature: 1.000000 Total energy: -188.076429 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.076429 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.076429 (E_RNA) where: Base-Base interactions energy: -123.689 where: short stacking energy: -57.119 Base-Backbone interact. energy: -0.190 local terms energy: -64.197392 where: bonds (distance) C4'-P energy: -9.213 bonds (distance) P-C4' energy: -15.870 flat angles C4'-P-C4' energy: -14.049 flat angles P-C4'-P energy: -9.517 tors. eta vs tors. theta energy: -15.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 305 Temperature: 1.050000 Total energy: -190.472912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.472912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.472912 (E_RNA) where: Base-Base interactions energy: -126.362 where: short stacking energy: -56.512 Base-Backbone interact. energy: -0.002 local terms energy: -64.109167 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -7.367 flat angles C4'-P-C4' energy: -13.346 flat angles P-C4'-P energy: -11.153 tors. eta vs tors. theta energy: -16.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 305 Temperature: 1.100000 Total energy: -186.518571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.518571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.518571 (E_RNA) where: Base-Base interactions energy: -120.459 where: short stacking energy: -61.635 Base-Backbone interact. energy: -0.002 local terms energy: -66.057540 where: bonds (distance) C4'-P energy: -13.421 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -12.129 flat angles P-C4'-P energy: -6.640 tors. eta vs tors. theta energy: -19.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 305 Temperature: 1.150000 Total energy: -176.123235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.123235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.123235 (E_RNA) where: Base-Base interactions energy: -113.383 where: short stacking energy: -52.443 Base-Backbone interact. energy: -0.911 local terms energy: -61.829035 where: bonds (distance) C4'-P energy: -11.824 bonds (distance) P-C4' energy: -14.796 flat angles C4'-P-C4' energy: -13.345 flat angles P-C4'-P energy: -6.471 tors. eta vs tors. theta energy: -15.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 305 Temperature: 1.200000 Total energy: -180.784658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.784658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.784658 (E_RNA) where: Base-Base interactions energy: -123.336 where: short stacking energy: -59.412 Base-Backbone interact. energy: -0.065 local terms energy: -57.384046 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -9.234 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -6.201 tors. eta vs tors. theta energy: -14.399 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 305 Temperature: 1.250000 Total energy: -152.697345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.697345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.697345 (E_RNA) where: Base-Base interactions energy: -95.646 where: short stacking energy: -44.350 Base-Backbone interact. energy: -0.043 local terms energy: -57.007548 where: bonds (distance) C4'-P energy: -8.972 bonds (distance) P-C4' energy: -11.397 flat angles C4'-P-C4' energy: -15.258 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -13.206 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: 3 ===================================== Write number: 305 Temperature: 1.300000 Total energy: -83.080271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.080271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.080271 (E_RNA) where: Base-Base interactions energy: -27.187 where: short stacking energy: -25.768 Base-Backbone interact. energy: -0.371 local terms energy: -55.522420 where: bonds (distance) C4'-P energy: -11.368 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -12.119 tors. eta vs tors. theta energy: -4.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 305 Temperature: 1.350000 Total energy: -74.736992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.736992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.736992 (E_RNA) where: Base-Base interactions energy: -32.138 where: short stacking energy: -24.147 Base-Backbone interact. energy: -0.004 local terms energy: -42.595200 where: bonds (distance) C4'-P energy: -14.460 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -8.595 flat angles P-C4'-P energy: -4.310 tors. eta vs tors. theta energy: -3.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 306 Temperature: 0.900000 Total energy: -207.165571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.165571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.165571 (E_RNA) where: Base-Base interactions energy: -132.876 where: short stacking energy: -61.998 Base-Backbone interact. energy: -0.005 local terms energy: -74.284162 where: bonds (distance) C4'-P energy: -15.149 bonds (distance) P-C4' energy: -14.853 flat angles C4'-P-C4' energy: -14.885 flat angles P-C4'-P energy: -8.270 tors. eta vs tors. theta energy: -21.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 306 Temperature: 0.950000 Total energy: -200.481051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.481051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.481051 (E_RNA) where: Base-Base interactions energy: -131.172 where: short stacking energy: -63.101 Base-Backbone interact. energy: -0.001 local terms energy: -69.307781 where: bonds (distance) C4'-P energy: -14.971 bonds (distance) P-C4' energy: -13.317 flat angles C4'-P-C4' energy: -12.533 flat angles P-C4'-P energy: -9.251 tors. eta vs tors. theta energy: -19.237 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: 6 ===================================== Write number: 306 Temperature: 1.000000 Total energy: -195.683863 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.683863 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.683863 (E_RNA) where: Base-Base interactions energy: -133.201 where: short stacking energy: -60.352 Base-Backbone interact. energy: -0.041 local terms energy: -62.441476 where: bonds (distance) C4'-P energy: -9.216 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -10.615 flat angles P-C4'-P energy: -12.017 tors. eta vs tors. theta energy: -16.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 306 Temperature: 1.050000 Total energy: -202.233765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.233765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.233765 (E_RNA) where: Base-Base interactions energy: -142.179 where: short stacking energy: -62.882 Base-Backbone interact. energy: -0.007 local terms energy: -60.047874 where: bonds (distance) C4'-P energy: -12.863 bonds (distance) P-C4' energy: -10.957 flat angles C4'-P-C4' energy: -9.398 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -19.667 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: 10 ===================================== Write number: 306 Temperature: 1.100000 Total energy: -178.156569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.156569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.156569 (E_RNA) where: Base-Base interactions energy: -113.347 where: short stacking energy: -47.880 Base-Backbone interact. energy: -0.030 local terms energy: -64.779658 where: bonds (distance) C4'-P energy: -12.855 bonds (distance) P-C4' energy: -13.430 flat angles C4'-P-C4' energy: -12.168 flat angles P-C4'-P energy: -13.025 tors. eta vs tors. theta energy: -13.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 306 Temperature: 1.150000 Total energy: -175.262477 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.262477 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.262477 (E_RNA) where: Base-Base interactions energy: -121.000 where: short stacking energy: -49.458 Base-Backbone interact. energy: -0.026 local terms energy: -54.236510 where: bonds (distance) C4'-P energy: -13.725 bonds (distance) P-C4' energy: -10.886 flat angles C4'-P-C4' energy: -12.843 flat angles P-C4'-P energy: -5.048 tors. eta vs tors. theta energy: -11.735 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: 2 ===================================== Write number: 306 Temperature: 1.200000 Total energy: -173.464572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.464572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.464572 (E_RNA) where: Base-Base interactions energy: -114.186 where: short stacking energy: -46.968 Base-Backbone interact. energy: 0.264 local terms energy: -59.542071 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -14.629 flat angles C4'-P-C4' energy: -12.793 flat angles P-C4'-P energy: -7.878 tors. eta vs tors. theta energy: -13.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 306 Temperature: 1.250000 Total energy: -83.708547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.708547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.708547 (E_RNA) where: Base-Base interactions energy: -37.972 where: short stacking energy: -28.985 Base-Backbone interact. energy: -0.318 local terms energy: -45.419070 where: bonds (distance) C4'-P energy: -9.899 bonds (distance) P-C4' energy: -10.972 flat angles C4'-P-C4' energy: -11.720 flat angles P-C4'-P energy: -7.339 tors. eta vs tors. theta energy: -5.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 306 Temperature: 1.300000 Total energy: -70.387706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.387706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.387706 (E_RNA) where: Base-Base interactions energy: -29.714 where: short stacking energy: -25.484 Base-Backbone interact. energy: -0.288 local terms energy: -40.385621 where: bonds (distance) C4'-P energy: -10.712 bonds (distance) P-C4' energy: -14.850 flat angles C4'-P-C4' energy: -10.143 flat angles P-C4'-P energy: -1.841 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: 10, replica: 3 ===================================== Write number: 306 Temperature: 1.350000 Total energy: -78.073792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.073792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.073792 (E_RNA) where: Base-Base interactions energy: -45.216 where: short stacking energy: -42.759 Base-Backbone interact. energy: -0.328 local terms energy: -32.529650 where: bonds (distance) C4'-P energy: -3.794 bonds (distance) P-C4' energy: -11.036 flat angles C4'-P-C4' energy: -12.251 flat angles P-C4'-P energy: -0.381 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: 1, replica: 5 ===================================== Write number: 307 Temperature: 0.900000 Total energy: -205.932968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.932968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.932968 (E_RNA) where: Base-Base interactions energy: -139.549 where: short stacking energy: -65.780 Base-Backbone interact. energy: -0.360 local terms energy: -66.024025 where: bonds (distance) C4'-P energy: -13.948 bonds (distance) P-C4' energy: -16.368 flat angles C4'-P-C4' energy: -11.740 flat angles P-C4'-P energy: -9.895 tors. eta vs tors. theta energy: -14.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 307 Temperature: 0.950000 Total energy: -210.461842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.461842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.461842 (E_RNA) where: Base-Base interactions energy: -142.061 where: short stacking energy: -70.782 Base-Backbone interact. energy: -0.012 local terms energy: -68.388997 where: bonds (distance) C4'-P energy: -12.329 bonds (distance) P-C4' energy: -12.092 flat angles C4'-P-C4' energy: -12.941 flat angles P-C4'-P energy: -10.661 tors. eta vs tors. theta energy: -20.366 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 307 Temperature: 1.000000 Total energy: -203.714548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.714548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.714548 (E_RNA) where: Base-Base interactions energy: -135.511 where: short stacking energy: -65.590 Base-Backbone interact. energy: 1.038 local terms energy: -69.241668 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -14.520 flat angles C4'-P-C4' energy: -15.947 flat angles P-C4'-P energy: -8.966 tors. eta vs tors. theta energy: -17.292 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: 10 ===================================== Write number: 307 Temperature: 1.050000 Total energy: -174.188042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.188042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.188042 (E_RNA) where: Base-Base interactions energy: -112.482 where: short stacking energy: -53.600 Base-Backbone interact. energy: -0.067 local terms energy: -61.638898 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -13.832 flat angles C4'-P-C4' energy: -13.020 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -11.681 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: 4 ===================================== Write number: 307 Temperature: 1.100000 Total energy: -193.233730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.233730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.233730 (E_RNA) where: Base-Base interactions energy: -127.464 where: short stacking energy: -60.101 Base-Backbone interact. energy: -0.007 local terms energy: -65.762340 where: bonds (distance) C4'-P energy: -12.677 bonds (distance) P-C4' energy: -13.259 flat angles C4'-P-C4' energy: -12.773 flat angles P-C4'-P energy: -7.510 tors. eta vs tors. theta energy: -19.545 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 307 Temperature: 1.150000 Total energy: -178.437967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.437967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.437967 (E_RNA) where: Base-Base interactions energy: -114.363 where: short stacking energy: -54.695 Base-Backbone interact. energy: -0.008 local terms energy: -64.066741 where: bonds (distance) C4'-P energy: -10.985 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -14.481 flat angles P-C4'-P energy: -8.292 tors. eta vs tors. theta energy: -14.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 307 Temperature: 1.200000 Total energy: -178.540149 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.540149 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.540149 (E_RNA) where: Base-Base interactions energy: -115.251 where: short stacking energy: -48.879 Base-Backbone interact. energy: -0.164 local terms energy: -63.124985 where: bonds (distance) C4'-P energy: -12.892 bonds (distance) P-C4' energy: -14.338 flat angles C4'-P-C4' energy: -14.121 flat angles P-C4'-P energy: -5.681 tors. eta vs tors. theta energy: -16.092 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 307 Temperature: 1.250000 Total energy: -82.569394 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.569394 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.569394 (E_RNA) where: Base-Base interactions energy: -33.030 where: short stacking energy: -30.103 Base-Backbone interact. energy: -0.049 local terms energy: -49.490726 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -11.878 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -8.060 tors. eta vs tors. theta energy: -3.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 307 Temperature: 1.300000 Total energy: -77.495989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.495989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.495989 (E_RNA) where: Base-Base interactions energy: -36.157 where: short stacking energy: -33.408 Base-Backbone interact. energy: -0.103 local terms energy: -41.236302 where: bonds (distance) C4'-P energy: -10.434 bonds (distance) P-C4' energy: -10.648 flat angles C4'-P-C4' energy: -11.735 flat angles P-C4'-P energy: -6.444 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: 3 ===================================== Write number: 307 Temperature: 1.350000 Total energy: -71.212756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.212756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.212756 (E_RNA) where: Base-Base interactions energy: -34.372 where: short stacking energy: -26.337 Base-Backbone interact. energy: -0.307 local terms energy: -36.533168 where: bonds (distance) C4'-P energy: -8.875 bonds (distance) P-C4' energy: -9.067 flat angles C4'-P-C4' energy: -10.749 flat angles P-C4'-P energy: -7.087 tors. eta vs tors. theta energy: -0.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 308 Temperature: 0.900000 Total energy: -207.665368 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.665368 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.665368 (E_RNA) where: Base-Base interactions energy: -140.747 where: short stacking energy: -67.575 Base-Backbone interact. energy: -0.001 local terms energy: -66.916910 where: bonds (distance) C4'-P energy: -14.341 bonds (distance) P-C4' energy: -13.262 flat angles C4'-P-C4' energy: -11.706 flat angles P-C4'-P energy: -9.751 tors. eta vs tors. theta energy: -17.857 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: 5 ===================================== Write number: 308 Temperature: 0.950000 Total energy: -201.465088 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.465088 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.465088 (E_RNA) where: Base-Base interactions energy: -135.347 where: short stacking energy: -60.108 Base-Backbone interact. energy: -0.053 local terms energy: -66.064727 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -9.880 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -20.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 308 Temperature: 1.000000 Total energy: -204.409199 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.409199 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.409199 (E_RNA) where: Base-Base interactions energy: -138.184 where: short stacking energy: -64.579 Base-Backbone interact. energy: -0.077 local terms energy: -66.148426 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -15.097 flat angles C4'-P-C4' energy: -12.752 flat angles P-C4'-P energy: -9.276 tors. eta vs tors. theta energy: -16.222 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: 308 Temperature: 1.050000 Total energy: -190.958750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.958750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.958750 (E_RNA) where: Base-Base interactions energy: -126.895 where: short stacking energy: -61.110 Base-Backbone interact. energy: -0.503 local terms energy: -63.561408 where: bonds (distance) C4'-P energy: -10.111 bonds (distance) P-C4' energy: -12.877 flat angles C4'-P-C4' energy: -15.655 flat angles P-C4'-P energy: -8.209 tors. eta vs tors. theta energy: -16.710 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: 2 ===================================== Write number: 308 Temperature: 1.100000 Total energy: -192.730516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.730516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.730516 (E_RNA) where: Base-Base interactions energy: -123.592 where: short stacking energy: -57.946 Base-Backbone interact. energy: -0.054 local terms energy: -69.084459 where: bonds (distance) C4'-P energy: -14.912 bonds (distance) P-C4' energy: -14.038 flat angles C4'-P-C4' energy: -10.160 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -19.024 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 308 Temperature: 1.150000 Total energy: -182.300836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.300836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.300836 (E_RNA) where: Base-Base interactions energy: -120.765 where: short stacking energy: -48.234 Base-Backbone interact. energy: -0.152 local terms energy: -61.384529 where: bonds (distance) C4'-P energy: -9.745 bonds (distance) P-C4' energy: -12.777 flat angles C4'-P-C4' energy: -13.557 flat angles P-C4'-P energy: -10.282 tors. eta vs tors. theta energy: -15.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 308 Temperature: 1.200000 Total energy: -178.407498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.407498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.407498 (E_RNA) where: Base-Base interactions energy: -120.856 where: short stacking energy: -57.561 Base-Backbone interact. energy: -0.001 local terms energy: -57.550526 where: bonds (distance) C4'-P energy: -7.953 bonds (distance) P-C4' energy: -14.191 flat angles C4'-P-C4' energy: -11.024 flat angles P-C4'-P energy: -8.993 tors. eta vs tors. theta energy: -15.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 308 Temperature: 1.250000 Total energy: -80.482323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.482323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.482323 (E_RNA) where: Base-Base interactions energy: -36.644 where: short stacking energy: -36.644 Base-Backbone interact. energy: -0.003 local terms energy: -43.834809 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -9.352 flat angles C4'-P-C4' energy: -11.280 flat angles P-C4'-P energy: -5.381 tors. eta vs tors. theta energy: -5.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 308 Temperature: 1.300000 Total energy: -122.933475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -122.933475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -122.933475 (E_RNA) where: Base-Base interactions energy: -68.525 where: short stacking energy: -35.778 Base-Backbone interact. energy: -0.130 local terms energy: -54.277836 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -5.555 tors. eta vs tors. theta energy: -11.838 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 308 Temperature: 1.350000 Total energy: -65.676141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.676141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.676141 (E_RNA) where: Base-Base interactions energy: -23.996 where: short stacking energy: -19.091 Base-Backbone interact. energy: -0.228 local terms energy: -41.452467 where: bonds (distance) C4'-P energy: -10.505 bonds (distance) P-C4' energy: -11.113 flat angles C4'-P-C4' energy: -10.143 flat angles P-C4'-P energy: -5.782 tors. eta vs tors. theta energy: -3.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 309 Temperature: 0.900000 Total energy: -207.953386 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.953386 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.953386 (E_RNA) where: Base-Base interactions energy: -137.179 where: short stacking energy: -61.708 Base-Backbone interact. energy: -0.001 local terms energy: -70.773224 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -16.442 flat angles C4'-P-C4' energy: -12.421 flat angles P-C4'-P energy: -12.067 tors. eta vs tors. theta energy: -19.111 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: 2, replica: 1 ===================================== Write number: 309 Temperature: 0.950000 Total energy: -202.491044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.491044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.491044 (E_RNA) where: Base-Base interactions energy: -132.379 where: short stacking energy: -59.886 Base-Backbone interact. energy: -0.036 local terms energy: -70.075348 where: bonds (distance) C4'-P energy: -10.455 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -14.515 flat angles P-C4'-P energy: -11.391 tors. eta vs tors. theta energy: -17.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 309 Temperature: 1.000000 Total energy: -199.405350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.405350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.405350 (E_RNA) where: Base-Base interactions energy: -132.076 where: short stacking energy: -61.565 Base-Backbone interact. energy: -0.211 local terms energy: -67.118385 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -11.703 flat angles C4'-P-C4' energy: -14.965 flat angles P-C4'-P energy: -7.743 tors. eta vs tors. theta energy: -18.507 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: 2 ===================================== Write number: 309 Temperature: 1.050000 Total energy: -193.826084 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.826084 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.826084 (E_RNA) where: Base-Base interactions energy: -132.288 where: short stacking energy: -53.247 Base-Backbone interact. energy: -0.049 local terms energy: -61.489229 where: bonds (distance) C4'-P energy: -14.938 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -12.015 flat angles P-C4'-P energy: -7.832 tors. eta vs tors. theta energy: -13.590 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: 10 ===================================== Write number: 309 Temperature: 1.100000 Total energy: -181.490982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.490982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.490982 (E_RNA) where: Base-Base interactions energy: -116.741 where: short stacking energy: -56.134 Base-Backbone interact. energy: -0.047 local terms energy: -64.703682 where: bonds (distance) C4'-P energy: -10.852 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -13.506 flat angles P-C4'-P energy: -7.738 tors. eta vs tors. theta energy: -16.917 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: 9 ===================================== Write number: 309 Temperature: 1.150000 Total energy: -168.848696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.848696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.848696 (E_RNA) where: Base-Base interactions energy: -112.897 where: short stacking energy: -52.130 Base-Backbone interact. energy: -0.221 local terms energy: -55.731321 where: bonds (distance) C4'-P energy: -13.348 bonds (distance) P-C4' energy: -10.239 flat angles C4'-P-C4' energy: -12.880 flat angles P-C4'-P energy: -5.022 tors. eta vs tors. theta energy: -14.243 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: 4 ===================================== Write number: 309 Temperature: 1.200000 Total energy: -183.674298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.674298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.674298 (E_RNA) where: Base-Base interactions energy: -126.336 where: short stacking energy: -49.649 Base-Backbone interact. energy: -0.143 local terms energy: -57.194642 where: bonds (distance) C4'-P energy: -12.511 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -13.636 flat angles P-C4'-P energy: -4.198 tors. eta vs tors. theta energy: -11.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 309 Temperature: 1.250000 Total energy: -116.088770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.088770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.088770 (E_RNA) where: Base-Base interactions energy: -67.877 where: short stacking energy: -26.153 Base-Backbone interact. energy: -0.069 local terms energy: -48.143265 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -11.582 flat angles P-C4'-P energy: -5.520 tors. eta vs tors. theta energy: -3.234 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 309 Temperature: 1.300000 Total energy: -75.694934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.694934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.694934 (E_RNA) where: Base-Base interactions energy: -38.130 where: short stacking energy: -18.464 Base-Backbone interact. energy: -0.143 local terms energy: -37.422063 where: bonds (distance) C4'-P energy: -16.837 bonds (distance) P-C4' energy: -12.719 flat angles C4'-P-C4' energy: -4.046 flat angles P-C4'-P energy: -5.809 tors. eta vs tors. theta energy: 1.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 309 Temperature: 1.350000 Total energy: -63.499945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -63.499945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -63.499945 (E_RNA) where: Base-Base interactions energy: -20.248 where: short stacking energy: -16.625 Base-Backbone interact. energy: -0.289 local terms energy: -42.962976 where: bonds (distance) C4'-P energy: -11.241 bonds (distance) P-C4' energy: -11.064 flat angles C4'-P-C4' energy: -9.823 flat angles P-C4'-P energy: -9.453 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: 1 ===================================== Write number: 310 Temperature: 0.900000 Total energy: -209.448095 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.448095 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.448095 (E_RNA) where: Base-Base interactions energy: -141.814 where: short stacking energy: -65.238 Base-Backbone interact. energy: -0.407 local terms energy: -67.227392 where: bonds (distance) C4'-P energy: -13.514 bonds (distance) P-C4' energy: -12.150 flat angles C4'-P-C4' energy: -15.577 flat angles P-C4'-P energy: -7.723 tors. eta vs tors. theta energy: -18.263 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: 6 ===================================== Write number: 310 Temperature: 0.950000 Total energy: -206.968658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.968658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.968658 (E_RNA) where: Base-Base interactions energy: -140.826 where: short stacking energy: -64.873 Base-Backbone interact. energy: -0.415 local terms energy: -65.728048 where: bonds (distance) C4'-P energy: -10.935 bonds (distance) P-C4' energy: -12.746 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -6.365 tors. eta vs tors. theta energy: -20.421 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: 2 ===================================== Write number: 310 Temperature: 1.000000 Total energy: -204.921778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.921778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.921778 (E_RNA) where: Base-Base interactions energy: -136.596 where: short stacking energy: -64.534 Base-Backbone interact. energy: -0.004 local terms energy: -68.321273 where: bonds (distance) C4'-P energy: -7.275 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -16.166 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: -18.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 310 Temperature: 1.050000 Total energy: -203.109531 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.109531 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.109531 (E_RNA) where: Base-Base interactions energy: -132.837 where: short stacking energy: -54.784 Base-Backbone interact. energy: -0.001 local terms energy: -70.271242 where: bonds (distance) C4'-P energy: -13.778 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -13.902 flat angles P-C4'-P energy: -7.970 tors. eta vs tors. theta energy: -18.894 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: 9 ===================================== Write number: 310 Temperature: 1.100000 Total energy: -186.705857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.705857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.705857 (E_RNA) where: Base-Base interactions energy: -130.126 where: short stacking energy: -53.334 Base-Backbone interact. energy: -0.108 local terms energy: -56.471491 where: bonds (distance) C4'-P energy: -9.067 bonds (distance) P-C4' energy: -7.794 flat angles C4'-P-C4' energy: -16.106 flat angles P-C4'-P energy: -9.603 tors. eta vs tors. theta energy: -13.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 310 Temperature: 1.150000 Total energy: -179.780644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.780644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.780644 (E_RNA) where: Base-Base interactions energy: -122.877 where: short stacking energy: -57.194 Base-Backbone interact. energy: -0.086 local terms energy: -56.817810 where: bonds (distance) C4'-P energy: -7.058 bonds (distance) P-C4' energy: -11.884 flat angles C4'-P-C4' energy: -10.213 flat angles P-C4'-P energy: -10.984 tors. eta vs tors. theta energy: -16.679 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: 4 ===================================== Write number: 310 Temperature: 1.200000 Total energy: -188.814861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.814861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.814861 (E_RNA) where: Base-Base interactions energy: -123.554 where: short stacking energy: -54.781 Base-Backbone interact. energy: -0.462 local terms energy: -64.798558 where: bonds (distance) C4'-P energy: -13.281 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -10.434 flat angles P-C4'-P energy: -10.433 tors. eta vs tors. theta energy: -14.448 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: 3 ===================================== Write number: 310 Temperature: 1.250000 Total energy: -94.836612 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.836612 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.836612 (E_RNA) where: Base-Base interactions energy: -36.944 where: short stacking energy: -37.322 Base-Backbone interact. energy: -0.070 local terms energy: -57.822066 where: bonds (distance) C4'-P energy: -11.269 bonds (distance) P-C4' energy: -15.950 flat angles C4'-P-C4' energy: -14.038 flat angles P-C4'-P energy: -6.863 tors. eta vs tors. theta energy: -9.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 310 Temperature: 1.300000 Total energy: -75.710512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.710512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.710512 (E_RNA) where: Base-Base interactions energy: -27.935 where: short stacking energy: -26.849 Base-Backbone interact. energy: -0.304 local terms energy: -47.472082 where: bonds (distance) C4'-P energy: -11.597 bonds (distance) P-C4' energy: -10.826 flat angles C4'-P-C4' energy: -11.421 flat angles P-C4'-P energy: -8.960 tors. eta vs tors. theta energy: -4.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 310 Temperature: 1.350000 Total energy: -71.655318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.655318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.655318 (E_RNA) where: Base-Base interactions energy: -25.248 where: short stacking energy: -25.248 Base-Backbone interact. energy: -0.192 local terms energy: -46.216094 where: bonds (distance) C4'-P energy: -14.214 bonds (distance) P-C4' energy: -10.696 flat angles C4'-P-C4' energy: -8.955 flat angles P-C4'-P energy: -6.908 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: 1, replica: 1 ===================================== Write number: 311 Temperature: 0.900000 Total energy: -208.924971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.924971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.924971 (E_RNA) where: Base-Base interactions energy: -140.466 where: short stacking energy: -61.534 Base-Backbone interact. energy: -0.046 local terms energy: -68.412590 where: bonds (distance) C4'-P energy: -14.119 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -12.417 flat angles P-C4'-P energy: -10.036 tors. eta vs tors. theta energy: -19.005 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: 6 ===================================== Write number: 311 Temperature: 0.950000 Total energy: -205.971515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.971515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.971515 (E_RNA) where: Base-Base interactions energy: -137.315 where: short stacking energy: -62.781 Base-Backbone interact. energy: -0.000 local terms energy: -68.656162 where: bonds (distance) C4'-P energy: -11.485 bonds (distance) P-C4' energy: -15.069 flat angles C4'-P-C4' energy: -13.340 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -18.405 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 311 Temperature: 1.000000 Total energy: -198.510548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.510548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.510548 (E_RNA) where: Base-Base interactions energy: -131.629 where: short stacking energy: -61.853 Base-Backbone interact. energy: -0.047 local terms energy: -66.835286 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -10.552 flat angles C4'-P-C4' energy: -16.005 flat angles P-C4'-P energy: -7.351 tors. eta vs tors. theta energy: -18.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 311 Temperature: 1.050000 Total energy: -192.822086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.822086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.822086 (E_RNA) where: Base-Base interactions energy: -127.756 where: short stacking energy: -60.186 Base-Backbone interact. energy: -0.282 local terms energy: -64.783910 where: bonds (distance) C4'-P energy: -11.399 bonds (distance) P-C4' energy: -11.471 flat angles C4'-P-C4' energy: -12.259 flat angles P-C4'-P energy: -12.178 tors. eta vs tors. theta energy: -17.477 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 311 Temperature: 1.100000 Total energy: -193.111297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.111297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.111297 (E_RNA) where: Base-Base interactions energy: -135.598 where: short stacking energy: -57.742 Base-Backbone interact. energy: -0.052 local terms energy: -57.461651 where: bonds (distance) C4'-P energy: -8.557 bonds (distance) P-C4' energy: -13.158 flat angles C4'-P-C4' energy: -11.824 flat angles P-C4'-P energy: -6.379 tors. eta vs tors. theta energy: -17.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 311 Temperature: 1.150000 Total energy: -189.588819 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.588819 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.588819 (E_RNA) where: Base-Base interactions energy: -121.546 where: short stacking energy: -57.542 Base-Backbone interact. energy: -0.002 local terms energy: -68.041062 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -13.070 flat angles P-C4'-P energy: -7.787 tors. eta vs tors. theta energy: -19.072 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: 10 ===================================== Write number: 311 Temperature: 1.200000 Total energy: -165.041777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.041777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.041777 (E_RNA) where: Base-Base interactions energy: -111.238 where: short stacking energy: -49.886 Base-Backbone interact. energy: -0.023 local terms energy: -53.780666 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -13.147 flat angles C4'-P-C4' energy: -3.869 flat angles P-C4'-P energy: -11.047 tors. eta vs tors. theta energy: -13.707 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: 8, replica: 8 ===================================== Write number: 311 Temperature: 1.250000 Total energy: -88.937905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.937905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.937905 (E_RNA) where: Base-Base interactions energy: -34.921 where: short stacking energy: -30.563 Base-Backbone interact. energy: -0.342 local terms energy: -53.674409 where: bonds (distance) C4'-P energy: -10.459 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -14.323 flat angles P-C4'-P energy: -6.751 tors. eta vs tors. theta energy: -7.168 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 311 Temperature: 1.300000 Total energy: -75.895594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.895594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.895594 (E_RNA) where: Base-Base interactions energy: -33.066 where: short stacking energy: -30.734 Base-Backbone interact. energy: 0.537 local terms energy: -43.366595 where: bonds (distance) C4'-P energy: -10.565 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -12.297 flat angles P-C4'-P energy: -4.949 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: 10, replica: 7 ===================================== Write number: 311 Temperature: 1.350000 Total energy: -82.114070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.114070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.114070 (E_RNA) where: Base-Base interactions energy: -27.513 where: short stacking energy: -27.513 Base-Backbone interact. energy: -0.030 local terms energy: -54.570830 where: bonds (distance) C4'-P energy: -15.562 bonds (distance) P-C4' energy: -13.623 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -10.297 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: 312 Temperature: 0.900000 Total energy: -208.512796 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.512796 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.512796 (E_RNA) where: Base-Base interactions energy: -135.303 where: short stacking energy: -68.809 Base-Backbone interact. energy: -0.019 local terms energy: -73.190527 where: bonds (distance) C4'-P energy: -15.455 bonds (distance) P-C4' energy: -14.100 flat angles C4'-P-C4' energy: -15.307 flat angles P-C4'-P energy: -10.399 tors. eta vs tors. theta energy: -17.928 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: 1 ===================================== Write number: 312 Temperature: 0.950000 Total energy: -208.420922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.420922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.420922 (E_RNA) where: Base-Base interactions energy: -143.420 where: short stacking energy: -61.424 Base-Backbone interact. energy: -0.065 local terms energy: -64.936215 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -11.728 flat angles C4'-P-C4' energy: -14.408 flat angles P-C4'-P energy: -9.716 tors. eta vs tors. theta energy: -15.334 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: 3, replica: 5 ===================================== Write number: 312 Temperature: 1.000000 Total energy: -198.589360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.589360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.589360 (E_RNA) where: Base-Base interactions energy: -132.210 where: short stacking energy: -67.945 Base-Backbone interact. energy: -0.074 local terms energy: -66.305884 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -14.071 flat angles P-C4'-P energy: -7.383 tors. eta vs tors. theta energy: -17.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 312 Temperature: 1.050000 Total energy: -189.208005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.208005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.208005 (E_RNA) where: Base-Base interactions energy: -124.210 where: short stacking energy: -55.882 Base-Backbone interact. energy: -0.062 local terms energy: -64.936288 where: bonds (distance) C4'-P energy: -12.881 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -9.796 flat angles P-C4'-P energy: -9.900 tors. eta vs tors. theta energy: -15.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 312 Temperature: 1.100000 Total energy: -180.181041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.181041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.181041 (E_RNA) where: Base-Base interactions energy: -113.429 where: short stacking energy: -52.579 Base-Backbone interact. energy: -0.011 local terms energy: -66.740533 where: bonds (distance) C4'-P energy: -10.327 bonds (distance) P-C4' energy: -15.759 flat angles C4'-P-C4' energy: -16.810 flat angles P-C4'-P energy: -7.458 tors. eta vs tors. theta energy: -16.388 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: 9 ===================================== Write number: 312 Temperature: 1.150000 Total energy: -183.420010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.420010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.420010 (E_RNA) where: Base-Base interactions energy: -118.764 where: short stacking energy: -50.712 Base-Backbone interact. energy: -0.044 local terms energy: -64.611890 where: bonds (distance) C4'-P energy: -15.178 bonds (distance) P-C4' energy: -12.486 flat angles C4'-P-C4' energy: -15.227 flat angles P-C4'-P energy: -7.602 tors. eta vs tors. theta energy: -14.118 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: 10 ===================================== Write number: 312 Temperature: 1.200000 Total energy: -180.713047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.713047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.713047 (E_RNA) where: Base-Base interactions energy: -115.115 where: short stacking energy: -55.556 Base-Backbone interact. energy: 0.554 local terms energy: -66.151705 where: bonds (distance) C4'-P energy: -12.395 bonds (distance) P-C4' energy: -17.383 flat angles C4'-P-C4' energy: -8.985 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -16.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 312 Temperature: 1.250000 Total energy: -84.451091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.451091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.451091 (E_RNA) where: Base-Base interactions energy: -45.414 where: short stacking energy: -21.793 Base-Backbone interact. energy: -0.248 local terms energy: -38.789121 where: bonds (distance) C4'-P energy: -10.375 bonds (distance) P-C4' energy: -11.217 flat angles C4'-P-C4' energy: -8.031 flat angles P-C4'-P energy: -8.172 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: 7 ===================================== Write number: 312 Temperature: 1.300000 Total energy: -82.817324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.817324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.817324 (E_RNA) where: Base-Base interactions energy: -40.536 where: short stacking energy: -27.627 Base-Backbone interact. energy: 3.408 local terms energy: -45.689644 where: bonds (distance) C4'-P energy: -11.608 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -7.382 flat angles P-C4'-P energy: -8.446 tors. eta vs tors. theta energy: -2.079 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 312 Temperature: 1.350000 Total energy: -87.613417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.613417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.613417 (E_RNA) where: Base-Base interactions energy: -38.713 where: short stacking energy: -28.066 Base-Backbone interact. energy: -0.141 local terms energy: -48.758717 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -17.352 flat angles C4'-P-C4' energy: -9.939 flat angles P-C4'-P energy: -6.485 tors. eta vs tors. theta energy: -4.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 313 Temperature: 0.900000 Total energy: -204.447926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.447926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.447926 (E_RNA) where: Base-Base interactions energy: -134.983 where: short stacking energy: -65.318 Base-Backbone interact. energy: -0.281 local terms energy: -69.184186 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -13.709 flat angles C4'-P-C4' energy: -13.143 flat angles P-C4'-P energy: -11.753 tors. eta vs tors. theta energy: -16.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 313 Temperature: 0.950000 Total energy: -207.324031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.324031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.324031 (E_RNA) where: Base-Base interactions energy: -137.934 where: short stacking energy: -62.262 Base-Backbone interact. energy: -0.127 local terms energy: -69.262917 where: bonds (distance) C4'-P energy: -14.577 bonds (distance) P-C4' energy: -12.973 flat angles C4'-P-C4' energy: -15.288 flat angles P-C4'-P energy: -9.668 tors. eta vs tors. theta energy: -16.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 313 Temperature: 1.000000 Total energy: -184.091415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.091415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.091415 (E_RNA) where: Base-Base interactions energy: -122.275 where: short stacking energy: -60.339 Base-Backbone interact. energy: -0.002 local terms energy: -61.814958 where: bonds (distance) C4'-P energy: -11.290 bonds (distance) P-C4' energy: -15.303 flat angles C4'-P-C4' energy: -14.810 flat angles P-C4'-P energy: -9.653 tors. eta vs tors. theta energy: -10.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 313 Temperature: 1.050000 Total energy: -193.778545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.778545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.778545 (E_RNA) where: Base-Base interactions energy: -125.240 where: short stacking energy: -58.781 Base-Backbone interact. energy: -0.024 local terms energy: -68.514078 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -13.780 flat angles C4'-P-C4' energy: -12.761 flat angles P-C4'-P energy: -9.800 tors. eta vs tors. theta energy: -17.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 313 Temperature: 1.100000 Total energy: -174.858328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.858328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.858328 (E_RNA) where: Base-Base interactions energy: -121.384 where: short stacking energy: -58.864 Base-Backbone interact. energy: -0.064 local terms energy: -53.410442 where: bonds (distance) C4'-P energy: -12.259 bonds (distance) P-C4' energy: -8.473 flat angles C4'-P-C4' energy: -11.765 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -11.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 313 Temperature: 1.150000 Total energy: -172.790341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.790341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.790341 (E_RNA) where: Base-Base interactions energy: -118.065 where: short stacking energy: -54.097 Base-Backbone interact. energy: -0.016 local terms energy: -54.709242 where: bonds (distance) C4'-P energy: -9.002 bonds (distance) P-C4' energy: -10.292 flat angles C4'-P-C4' energy: -11.288 flat angles P-C4'-P energy: -10.919 tors. eta vs tors. theta energy: -13.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 313 Temperature: 1.200000 Total energy: -177.499573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.499573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.499573 (E_RNA) where: Base-Base interactions energy: -115.373 where: short stacking energy: -53.360 Base-Backbone interact. energy: -0.394 local terms energy: -61.732454 where: bonds (distance) C4'-P energy: -10.049 bonds (distance) P-C4' energy: -16.340 flat angles C4'-P-C4' energy: -13.349 flat angles P-C4'-P energy: -9.493 tors. eta vs tors. theta energy: -12.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 313 Temperature: 1.250000 Total energy: -100.101906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -100.101906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -100.101906 (E_RNA) where: Base-Base interactions energy: -69.448 where: short stacking energy: -35.672 Base-Backbone interact. energy: 0.335 local terms energy: -30.988818 where: bonds (distance) C4'-P energy: -4.980 bonds (distance) P-C4' energy: -10.620 flat angles C4'-P-C4' energy: -8.847 flat angles P-C4'-P energy: -3.558 tors. eta vs tors. theta energy: -2.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 313 Temperature: 1.300000 Total energy: -74.011126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.011126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.011126 (E_RNA) where: Base-Base interactions energy: -29.894 where: short stacking energy: -29.524 Base-Backbone interact. energy: -0.086 local terms energy: -44.030220 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -11.004 flat angles C4'-P-C4' energy: -9.972 flat angles P-C4'-P energy: -6.503 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: 10, replica: 3 ===================================== Write number: 313 Temperature: 1.350000 Total energy: -74.021010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.021010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.021010 (E_RNA) where: Base-Base interactions energy: -24.918 where: short stacking energy: -20.230 Base-Backbone interact. energy: -0.364 local terms energy: -48.739192 where: bonds (distance) C4'-P energy: -11.344 bonds (distance) P-C4' energy: -13.039 flat angles C4'-P-C4' energy: -14.912 flat angles P-C4'-P energy: -7.381 tors. eta vs tors. theta energy: -2.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 314 Temperature: 0.900000 Total energy: -211.132598 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.132598 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.132598 (E_RNA) where: Base-Base interactions energy: -135.382 where: short stacking energy: -64.377 Base-Backbone interact. energy: -0.008 local terms energy: -75.742533 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -15.064 flat angles C4'-P-C4' energy: -15.426 flat angles P-C4'-P energy: -12.221 tors. eta vs tors. theta energy: -18.951 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 314 Temperature: 0.950000 Total energy: -202.703638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.703638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.703638 (E_RNA) where: Base-Base interactions energy: -130.399 where: short stacking energy: -61.218 Base-Backbone interact. energy: -0.000 local terms energy: -72.304694 where: bonds (distance) C4'-P energy: -12.814 bonds (distance) P-C4' energy: -13.991 flat angles C4'-P-C4' energy: -15.248 flat angles P-C4'-P energy: -10.975 tors. eta vs tors. theta energy: -19.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 314 Temperature: 1.000000 Total energy: -201.621262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.621262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.621262 (E_RNA) where: Base-Base interactions energy: -129.331 where: short stacking energy: -62.741 Base-Backbone interact. energy: -0.166 local terms energy: -72.125044 where: bonds (distance) C4'-P energy: -14.276 bonds (distance) P-C4' energy: -17.317 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -7.825 tors. eta vs tors. theta energy: -19.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 314 Temperature: 1.050000 Total energy: -191.653590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.653590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.653590 (E_RNA) where: Base-Base interactions energy: -130.857 where: short stacking energy: -57.012 Base-Backbone interact. energy: -0.010 local terms energy: -60.786522 where: bonds (distance) C4'-P energy: -14.035 bonds (distance) P-C4' energy: -9.994 flat angles C4'-P-C4' energy: -15.486 flat angles P-C4'-P energy: -9.693 tors. eta vs tors. theta energy: -11.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 314 Temperature: 1.100000 Total energy: -191.809738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.809738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.809738 (E_RNA) where: Base-Base interactions energy: -121.101 where: short stacking energy: -55.696 Base-Backbone interact. energy: -0.040 local terms energy: -70.668542 where: bonds (distance) C4'-P energy: -13.252 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -15.222 flat angles P-C4'-P energy: -11.885 tors. eta vs tors. theta energy: -17.334 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: 4 ===================================== Write number: 314 Temperature: 1.150000 Total energy: -173.014423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.014423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.014423 (E_RNA) where: Base-Base interactions energy: -113.856 where: short stacking energy: -49.511 Base-Backbone interact. energy: -0.158 local terms energy: -59.000640 where: bonds (distance) C4'-P energy: -8.457 bonds (distance) P-C4' energy: -13.256 flat angles C4'-P-C4' energy: -13.196 flat angles P-C4'-P energy: -9.051 tors. eta vs tors. theta energy: -15.041 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 314 Temperature: 1.200000 Total energy: -98.676231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.676231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.676231 (E_RNA) where: Base-Base interactions energy: -43.933 where: short stacking energy: -26.645 Base-Backbone interact. energy: -0.189 local terms energy: -54.554561 where: bonds (distance) C4'-P energy: -13.831 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -14.891 flat angles P-C4'-P energy: -7.476 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: 8, replica: 9 ===================================== Write number: 314 Temperature: 1.250000 Total energy: -180.080302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.080302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.080302 (E_RNA) where: Base-Base interactions energy: -116.000 where: short stacking energy: -57.600 Base-Backbone interact. energy: -0.256 local terms energy: -63.824341 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -12.368 flat angles P-C4'-P energy: -6.033 tors. eta vs tors. theta energy: -15.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 314 Temperature: 1.300000 Total energy: -70.719901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.719901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.719901 (E_RNA) where: Base-Base interactions energy: -25.467 where: short stacking energy: -24.985 Base-Backbone interact. energy: -0.004 local terms energy: -45.249169 where: bonds (distance) C4'-P energy: -9.692 bonds (distance) P-C4' energy: -11.191 flat angles C4'-P-C4' energy: -9.146 flat angles P-C4'-P energy: -9.686 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: 10, replica: 8 ===================================== Write number: 314 Temperature: 1.350000 Total energy: -74.621581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.621581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.621581 (E_RNA) where: Base-Base interactions energy: -32.374 where: short stacking energy: -32.331 Base-Backbone interact. energy: -0.058 local terms energy: -42.190201 where: bonds (distance) C4'-P energy: -12.105 bonds (distance) P-C4' energy: -10.533 flat angles C4'-P-C4' energy: -12.435 flat angles P-C4'-P energy: -7.585 tors. eta vs tors. theta energy: 0.468 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 315 Temperature: 0.900000 Total energy: -218.361317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.361317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.361317 (E_RNA) where: Base-Base interactions energy: -141.894 where: short stacking energy: -63.374 Base-Backbone interact. energy: -0.000 local terms energy: -76.466520 where: bonds (distance) C4'-P energy: -15.841 bonds (distance) P-C4' energy: -16.148 flat angles C4'-P-C4' energy: -13.935 flat angles P-C4'-P energy: -11.248 tors. eta vs tors. theta energy: -19.294 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: 2 ===================================== Write number: 315 Temperature: 0.950000 Total energy: -208.185430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.185430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.185430 (E_RNA) where: Base-Base interactions energy: -135.652 where: short stacking energy: -55.289 Base-Backbone interact. energy: -0.002 local terms energy: -72.531867 where: bonds (distance) C4'-P energy: -14.343 bonds (distance) P-C4' energy: -16.424 flat angles C4'-P-C4' energy: -13.394 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -19.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 315 Temperature: 1.000000 Total energy: -189.017396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.017396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.017396 (E_RNA) where: Base-Base interactions energy: -119.375 where: short stacking energy: -56.252 Base-Backbone interact. energy: -0.015 local terms energy: -69.627244 where: bonds (distance) C4'-P energy: -13.186 bonds (distance) P-C4' energy: -14.352 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -10.093 tors. eta vs tors. theta energy: -17.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 315 Temperature: 1.050000 Total energy: -190.067675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.067675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.067675 (E_RNA) where: Base-Base interactions energy: -125.754 where: short stacking energy: -60.719 Base-Backbone interact. energy: -0.289 local terms energy: -64.024902 where: bonds (distance) C4'-P energy: -11.121 bonds (distance) P-C4' energy: -12.591 flat angles C4'-P-C4' energy: -12.583 flat angles P-C4'-P energy: -11.094 tors. eta vs tors. theta energy: -16.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 315 Temperature: 1.100000 Total energy: -184.093434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.093434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.093434 (E_RNA) where: Base-Base interactions energy: -118.986 where: short stacking energy: -51.143 Base-Backbone interact. energy: -0.063 local terms energy: -65.044103 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -15.391 flat angles C4'-P-C4' energy: -12.371 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -15.908 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: 6, replica: 4 ===================================== Write number: 315 Temperature: 1.150000 Total energy: -179.082800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.082800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.082800 (E_RNA) where: Base-Base interactions energy: -119.150 where: short stacking energy: -50.346 Base-Backbone interact. energy: -0.304 local terms energy: -59.628412 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -11.383 flat angles C4'-P-C4' energy: -13.723 flat angles P-C4'-P energy: -7.766 tors. eta vs tors. theta energy: -13.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 315 Temperature: 1.200000 Total energy: -93.362420 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.362420 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.362420 (E_RNA) where: Base-Base interactions energy: -35.795 where: short stacking energy: -35.667 Base-Backbone interact. energy: -0.106 local terms energy: -57.461116 where: bonds (distance) C4'-P energy: -11.958 bonds (distance) P-C4' energy: -15.429 flat angles C4'-P-C4' energy: -9.819 flat angles P-C4'-P energy: -10.018 tors. eta vs tors. theta energy: -10.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 315 Temperature: 1.250000 Total energy: -152.136938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.136938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.136938 (E_RNA) where: Base-Base interactions energy: -96.917 where: short stacking energy: -53.029 Base-Backbone interact. energy: -0.241 local terms energy: -54.979533 where: bonds (distance) C4'-P energy: -11.033 bonds (distance) P-C4' energy: -14.622 flat angles C4'-P-C4' energy: -9.157 flat angles P-C4'-P energy: -8.457 tors. eta vs tors. theta energy: -11.710 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: 3 ===================================== Write number: 315 Temperature: 1.300000 Total energy: -73.480911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.480911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.480911 (E_RNA) where: Base-Base interactions energy: -28.485 where: short stacking energy: -22.655 Base-Backbone interact. energy: -0.107 local terms energy: -44.889154 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -11.107 flat angles C4'-P-C4' energy: -8.848 flat angles P-C4'-P energy: -10.574 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: 10, replica: 8 ===================================== Write number: 315 Temperature: 1.350000 Total energy: -67.908603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.908603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.908603 (E_RNA) where: Base-Base interactions energy: -22.389 where: short stacking energy: -22.389 Base-Backbone interact. energy: -0.056 local terms energy: -45.464245 where: bonds (distance) C4'-P energy: -14.098 bonds (distance) P-C4' energy: -10.402 flat angles C4'-P-C4' energy: -11.681 flat angles P-C4'-P energy: -8.302 tors. eta vs tors. theta energy: -0.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 316 Temperature: 0.900000 Total energy: -210.130390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.130390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.130390 (E_RNA) where: Base-Base interactions energy: -141.387 where: short stacking energy: -71.708 Base-Backbone interact. energy: -0.001 local terms energy: -68.741946 where: bonds (distance) C4'-P energy: -10.073 bonds (distance) P-C4' energy: -14.889 flat angles C4'-P-C4' energy: -15.872 flat angles P-C4'-P energy: -10.114 tors. eta vs tors. theta energy: -17.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 316 Temperature: 0.950000 Total energy: -210.060842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.060842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.060842 (E_RNA) where: Base-Base interactions energy: -136.376 where: short stacking energy: -62.793 Base-Backbone interact. energy: -0.026 local terms energy: -73.658740 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -12.892 tors. eta vs tors. theta energy: -18.803 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 316 Temperature: 1.000000 Total energy: -202.240347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.240347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.240347 (E_RNA) where: Base-Base interactions energy: -136.197 where: short stacking energy: -57.564 Base-Backbone interact. energy: 0.809 local terms energy: -66.852799 where: bonds (distance) C4'-P energy: -14.079 bonds (distance) P-C4' energy: -14.507 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -9.033 tors. eta vs tors. theta energy: -17.097 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 316 Temperature: 1.050000 Total energy: -195.716679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.716679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.716679 (E_RNA) where: Base-Base interactions energy: -129.785 where: short stacking energy: -61.163 Base-Backbone interact. energy: -0.034 local terms energy: -65.897802 where: bonds (distance) C4'-P energy: -13.198 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -14.922 flat angles P-C4'-P energy: -7.349 tors. eta vs tors. theta energy: -15.325 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: 4 ===================================== Write number: 316 Temperature: 1.100000 Total energy: -199.494105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.494105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.494105 (E_RNA) where: Base-Base interactions energy: -138.669 where: short stacking energy: -57.707 Base-Backbone interact. energy: -0.003 local terms energy: -60.822411 where: bonds (distance) C4'-P energy: -12.702 bonds (distance) P-C4' energy: -9.466 flat angles C4'-P-C4' energy: -10.250 flat angles P-C4'-P energy: -8.747 tors. eta vs tors. theta energy: -19.658 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: 5 ===================================== Write number: 316 Temperature: 1.150000 Total energy: -186.586123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.586123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.586123 (E_RNA) where: Base-Base interactions energy: -123.873 where: short stacking energy: -58.397 Base-Backbone interact. energy: -0.083 local terms energy: -62.629613 where: bonds (distance) C4'-P energy: -14.920 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -11.194 flat angles P-C4'-P energy: -7.624 tors. eta vs tors. theta energy: -16.056 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: 316 Temperature: 1.200000 Total energy: -181.635440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.635440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.635440 (E_RNA) where: Base-Base interactions energy: -123.294 where: short stacking energy: -63.174 Base-Backbone interact. energy: -0.118 local terms energy: -58.222995 where: bonds (distance) C4'-P energy: -4.061 bonds (distance) P-C4' energy: -14.586 flat angles C4'-P-C4' energy: -14.039 flat angles P-C4'-P energy: -8.914 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 316 Temperature: 1.250000 Total energy: -92.195198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.195198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.195198 (E_RNA) where: Base-Base interactions energy: -52.248 where: short stacking energy: -32.552 Base-Backbone interact. energy: 0.134 local terms energy: -40.080488 where: bonds (distance) C4'-P energy: -10.792 bonds (distance) P-C4' energy: -11.929 flat angles C4'-P-C4' energy: -10.968 flat angles P-C4'-P energy: -4.002 tors. eta vs tors. theta energy: -2.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 316 Temperature: 1.300000 Total energy: -76.898216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.898216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.898216 (E_RNA) where: Base-Base interactions energy: -35.689 where: short stacking energy: -22.454 Base-Backbone interact. energy: 0.161 local terms energy: -41.370506 where: bonds (distance) C4'-P energy: -12.835 bonds (distance) P-C4' energy: -11.987 flat angles C4'-P-C4' energy: -3.688 flat angles P-C4'-P energy: -8.456 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: 10, replica: 3 ===================================== Write number: 316 Temperature: 1.350000 Total energy: -73.442853 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.442853 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.442853 (E_RNA) where: Base-Base interactions energy: -24.270 where: short stacking energy: -24.045 Base-Backbone interact. energy: -0.209 local terms energy: -48.964281 where: bonds (distance) C4'-P energy: -14.130 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -9.691 flat angles P-C4'-P energy: -9.174 tors. eta vs tors. theta energy: -3.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 317 Temperature: 0.900000 Total energy: -211.878181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.878181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.878181 (E_RNA) where: Base-Base interactions energy: -138.699 where: short stacking energy: -60.536 Base-Backbone interact. energy: -0.640 local terms energy: -72.539418 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -15.010 flat angles P-C4'-P energy: -8.155 tors. eta vs tors. theta energy: -19.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 317 Temperature: 0.950000 Total energy: -202.312846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.312846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.312846 (E_RNA) where: Base-Base interactions energy: -133.254 where: short stacking energy: -65.635 Base-Backbone interact. energy: 0.747 local terms energy: -69.805028 where: bonds (distance) C4'-P energy: -14.502 bonds (distance) P-C4' energy: -9.641 flat angles C4'-P-C4' energy: -16.909 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -18.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 317 Temperature: 1.000000 Total energy: -209.517431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.517431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.517431 (E_RNA) where: Base-Base interactions energy: -143.781 where: short stacking energy: -68.568 Base-Backbone interact. energy: -0.001 local terms energy: -65.735233 where: bonds (distance) C4'-P energy: -12.734 bonds (distance) P-C4' energy: -14.828 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -4.010 tors. eta vs tors. theta energy: -19.245 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: 317 Temperature: 1.050000 Total energy: -191.379257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.379257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.379257 (E_RNA) where: Base-Base interactions energy: -123.680 where: short stacking energy: -52.058 Base-Backbone interact. energy: -0.110 local terms energy: -67.589308 where: bonds (distance) C4'-P energy: -14.353 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -12.603 flat angles P-C4'-P energy: -12.060 tors. eta vs tors. theta energy: -14.748 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 317 Temperature: 1.100000 Total energy: -194.233710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.233710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.233710 (E_RNA) where: Base-Base interactions energy: -131.339 where: short stacking energy: -64.107 Base-Backbone interact. energy: -0.008 local terms energy: -62.886308 where: bonds (distance) C4'-P energy: -9.076 bonds (distance) P-C4' energy: -10.491 flat angles C4'-P-C4' energy: -11.839 flat angles P-C4'-P energy: -12.508 tors. eta vs tors. theta energy: -18.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 317 Temperature: 1.150000 Total energy: -181.775074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.775074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.775074 (E_RNA) where: Base-Base interactions energy: -123.746 where: short stacking energy: -48.962 Base-Backbone interact. energy: -0.056 local terms energy: -57.972491 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -12.226 flat angles C4'-P-C4' energy: -6.600 flat angles P-C4'-P energy: -12.060 tors. eta vs tors. theta energy: -14.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 317 Temperature: 1.200000 Total energy: -188.184624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.184624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.184624 (E_RNA) where: Base-Base interactions energy: -127.471 where: short stacking energy: -59.275 Base-Backbone interact. energy: -0.162 local terms energy: -60.551375 where: bonds (distance) C4'-P energy: -8.243 bonds (distance) P-C4' energy: -10.283 flat angles C4'-P-C4' energy: -14.828 flat angles P-C4'-P energy: -7.136 tors. eta vs tors. theta energy: -20.062 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: 8, replica: 8 ===================================== Write number: 317 Temperature: 1.250000 Total energy: -86.808075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.808075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.808075 (E_RNA) where: Base-Base interactions energy: -33.096 where: short stacking energy: -33.096 Base-Backbone interact. energy: -0.052 local terms energy: -53.659264 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -14.313 flat angles C4'-P-C4' energy: -9.422 flat angles P-C4'-P energy: -10.470 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: 9, replica: 7 ===================================== Write number: 317 Temperature: 1.300000 Total energy: -80.380860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.380860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.380860 (E_RNA) where: Base-Base interactions energy: -31.998 where: short stacking energy: -21.301 Base-Backbone interact. energy: -0.204 local terms energy: -48.179048 where: bonds (distance) C4'-P energy: -8.463 bonds (distance) P-C4' energy: -15.156 flat angles C4'-P-C4' energy: -14.340 flat angles P-C4'-P energy: -9.777 tors. eta vs tors. theta energy: -0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 317 Temperature: 1.350000 Total energy: -72.556573 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.556573 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.556573 (E_RNA) where: Base-Base interactions energy: -29.413 where: short stacking energy: -27.278 Base-Backbone interact. energy: -0.171 local terms energy: -42.973007 where: bonds (distance) C4'-P energy: -11.356 bonds (distance) P-C4' energy: -12.797 flat angles C4'-P-C4' energy: -13.370 flat angles P-C4'-P energy: -4.712 tors. eta vs tors. theta energy: -0.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 318 Temperature: 0.900000 Total energy: -212.314059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.314059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.314059 (E_RNA) where: Base-Base interactions energy: -140.852 where: short stacking energy: -63.233 Base-Backbone interact. energy: -0.001 local terms energy: -71.460841 where: bonds (distance) C4'-P energy: -14.983 bonds (distance) P-C4' energy: -13.659 flat angles C4'-P-C4' energy: -14.123 flat angles P-C4'-P energy: -12.678 tors. eta vs tors. theta energy: -16.018 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: 318 Temperature: 0.950000 Total energy: -186.335151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.335151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.335151 (E_RNA) where: Base-Base interactions energy: -121.322 where: short stacking energy: -53.282 Base-Backbone interact. energy: -0.138 local terms energy: -64.874893 where: bonds (distance) C4'-P energy: -12.962 bonds (distance) P-C4' energy: -15.977 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -13.486 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: 4 ===================================== Write number: 318 Temperature: 1.000000 Total energy: -190.799220 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.799220 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.799220 (E_RNA) where: Base-Base interactions energy: -124.141 where: short stacking energy: -53.904 Base-Backbone interact. energy: -0.008 local terms energy: -66.650515 where: bonds (distance) C4'-P energy: -12.856 bonds (distance) P-C4' energy: -9.606 flat angles C4'-P-C4' energy: -14.308 flat angles P-C4'-P energy: -13.653 tors. eta vs tors. theta energy: -16.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 318 Temperature: 1.050000 Total energy: -180.978714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.978714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.978714 (E_RNA) where: Base-Base interactions energy: -115.417 where: short stacking energy: -53.840 Base-Backbone interact. energy: -0.002 local terms energy: -65.560464 where: bonds (distance) C4'-P energy: -14.025 bonds (distance) P-C4' energy: -11.515 flat angles C4'-P-C4' energy: -14.276 flat angles P-C4'-P energy: -12.299 tors. eta vs tors. theta energy: -13.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 318 Temperature: 1.100000 Total energy: -188.679563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.679563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.679563 (E_RNA) where: Base-Base interactions energy: -123.695 where: short stacking energy: -58.281 Base-Backbone interact. energy: 0.111 local terms energy: -65.095769 where: bonds (distance) C4'-P energy: -14.051 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -11.745 flat angles P-C4'-P energy: -7.332 tors. eta vs tors. theta energy: -16.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 318 Temperature: 1.150000 Total energy: -189.354751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.354751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.354751 (E_RNA) where: Base-Base interactions energy: -123.647 where: short stacking energy: -55.917 Base-Backbone interact. energy: -0.592 local terms energy: -65.115276 where: bonds (distance) C4'-P energy: -8.860 bonds (distance) P-C4' energy: -17.362 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -8.547 tors. eta vs tors. theta energy: -15.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 318 Temperature: 1.200000 Total energy: -175.479514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.479514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.479514 (E_RNA) where: Base-Base interactions energy: -109.323 where: short stacking energy: -48.585 Base-Backbone interact. energy: -0.794 local terms energy: -65.362529 where: bonds (distance) C4'-P energy: -7.527 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -15.814 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -15.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 318 Temperature: 1.250000 Total energy: -80.521770 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.521770 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.521770 (E_RNA) where: Base-Base interactions energy: -36.792 where: short stacking energy: -24.186 Base-Backbone interact. energy: -0.048 local terms energy: -43.681689 where: bonds (distance) C4'-P energy: -10.531 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -12.476 flat angles P-C4'-P energy: -6.166 tors. eta vs tors. theta energy: 0.976 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 318 Temperature: 1.300000 Total energy: -78.776361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.776361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.776361 (E_RNA) where: Base-Base interactions energy: -37.527 where: short stacking energy: -20.614 Base-Backbone interact. energy: -0.021 local terms energy: -41.228998 where: bonds (distance) C4'-P energy: -11.319 bonds (distance) P-C4' energy: -15.675 flat angles C4'-P-C4' energy: -5.173 flat angles P-C4'-P energy: -8.910 tors. eta vs tors. theta energy: -0.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 318 Temperature: 1.350000 Total energy: -72.903513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.903513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.903513 (E_RNA) where: Base-Base interactions energy: -28.414 where: short stacking energy: -28.414 Base-Backbone interact. energy: -0.699 local terms energy: -43.789798 where: bonds (distance) C4'-P energy: -11.132 bonds (distance) P-C4' energy: -16.610 flat angles C4'-P-C4' energy: -10.447 flat angles P-C4'-P energy: -5.052 tors. eta vs tors. theta energy: -0.549 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 319 Temperature: 0.900000 Total energy: -207.631756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.631756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.631756 (E_RNA) where: Base-Base interactions energy: -134.719 where: short stacking energy: -63.237 Base-Backbone interact. energy: -0.158 local terms energy: -72.755048 where: bonds (distance) C4'-P energy: -13.493 bonds (distance) P-C4' energy: -15.291 flat angles C4'-P-C4' energy: -13.149 flat angles P-C4'-P energy: -12.188 tors. eta vs tors. theta energy: -18.634 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: 4 ===================================== Write number: 319 Temperature: 0.950000 Total energy: -202.595246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.595246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.595246 (E_RNA) where: Base-Base interactions energy: -130.298 where: short stacking energy: -58.037 Base-Backbone interact. energy: -0.067 local terms energy: -72.230238 where: bonds (distance) C4'-P energy: -12.746 bonds (distance) P-C4' energy: -16.898 flat angles C4'-P-C4' energy: -16.891 flat angles P-C4'-P energy: -10.479 tors. eta vs tors. theta energy: -15.216 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 319 Temperature: 1.000000 Total energy: -177.414437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.414437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.414437 (E_RNA) where: Base-Base interactions energy: -117.420 where: short stacking energy: -47.665 Base-Backbone interact. energy: -0.556 local terms energy: -59.438582 where: bonds (distance) C4'-P energy: -11.717 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -11.463 flat angles P-C4'-P energy: -10.407 tors. eta vs tors. theta energy: -12.048 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: 10 ===================================== Write number: 319 Temperature: 1.050000 Total energy: -191.778292 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.778292 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.778292 (E_RNA) where: Base-Base interactions energy: -123.601 where: short stacking energy: -51.486 Base-Backbone interact. energy: -0.377 local terms energy: -67.800008 where: bonds (distance) C4'-P energy: -15.516 bonds (distance) P-C4' energy: -15.868 flat angles C4'-P-C4' energy: -16.158 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -11.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 319 Temperature: 1.100000 Total energy: -183.359901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.359901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.359901 (E_RNA) where: Base-Base interactions energy: -120.543 where: short stacking energy: -62.807 Base-Backbone interact. energy: -0.033 local terms energy: -62.784238 where: bonds (distance) C4'-P energy: -13.224 bonds (distance) P-C4' energy: -11.866 flat angles C4'-P-C4' energy: -13.032 flat angles P-C4'-P energy: -9.754 tors. eta vs tors. theta energy: -14.909 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: 6, replica: 9 ===================================== Write number: 319 Temperature: 1.150000 Total energy: -188.279953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.279953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.279953 (E_RNA) where: Base-Base interactions energy: -120.483 where: short stacking energy: -56.519 Base-Backbone interact. energy: -0.176 local terms energy: -67.621159 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -15.070 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -15.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 319 Temperature: 1.200000 Total energy: -170.007548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.007548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.007548 (E_RNA) where: Base-Base interactions energy: -112.254 where: short stacking energy: -48.095 Base-Backbone interact. energy: 0.523 local terms energy: -58.276382 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -12.003 flat angles C4'-P-C4' energy: -11.443 flat angles P-C4'-P energy: -8.201 tors. eta vs tors. theta energy: -12.008 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: 8 ===================================== Write number: 319 Temperature: 1.250000 Total energy: -89.156897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.156897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.156897 (E_RNA) where: Base-Base interactions energy: -30.908 where: short stacking energy: -30.908 Base-Backbone interact. energy: -0.105 local terms energy: -58.143981 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -15.266 flat angles C4'-P-C4' energy: -10.190 flat angles P-C4'-P energy: -11.315 tors. eta vs tors. theta energy: -6.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 319 Temperature: 1.300000 Total energy: -72.228440 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.228440 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.228440 (E_RNA) where: Base-Base interactions energy: -30.702 where: short stacking energy: -24.345 Base-Backbone interact. energy: -0.272 local terms energy: -41.254459 where: bonds (distance) C4'-P energy: -11.070 bonds (distance) P-C4' energy: -8.256 flat angles C4'-P-C4' energy: -11.148 flat angles P-C4'-P energy: -10.699 tors. eta vs tors. theta energy: -0.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 319 Temperature: 1.350000 Total energy: -67.570874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.570874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.570874 (E_RNA) where: Base-Base interactions energy: -29.732 where: short stacking energy: -24.927 Base-Backbone interact. energy: -0.166 local terms energy: -37.672767 where: bonds (distance) C4'-P energy: -6.667 bonds (distance) P-C4' energy: -13.783 flat angles C4'-P-C4' energy: -10.516 flat angles P-C4'-P energy: -6.620 tors. eta vs tors. theta energy: -0.086 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 320 Temperature: 0.900000 Total energy: -212.066678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.066678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.066678 (E_RNA) where: Base-Base interactions energy: -138.262 where: short stacking energy: -63.889 Base-Backbone interact. energy: -0.049 local terms energy: -73.755544 where: bonds (distance) C4'-P energy: -12.590 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -15.381 flat angles P-C4'-P energy: -11.333 tors. eta vs tors. theta energy: -19.691 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: 4 ===================================== Write number: 320 Temperature: 0.950000 Total energy: -210.748838 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.748838 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.748838 (E_RNA) where: Base-Base interactions energy: -137.992 where: short stacking energy: -69.589 Base-Backbone interact. energy: -0.005 local terms energy: -72.752052 where: bonds (distance) C4'-P energy: -16.142 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -15.357 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -17.723 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 320 Temperature: 1.000000 Total energy: -198.150414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.150414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.150414 (E_RNA) where: Base-Base interactions energy: -134.901 where: short stacking energy: -59.367 Base-Backbone interact. energy: 0.466 local terms energy: -63.715643 where: bonds (distance) C4'-P energy: -10.410 bonds (distance) P-C4' energy: -14.149 flat angles C4'-P-C4' energy: -15.721 flat angles P-C4'-P energy: -6.304 tors. eta vs tors. theta energy: -17.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 320 Temperature: 1.050000 Total energy: -190.193716 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.193716 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.193716 (E_RNA) where: Base-Base interactions energy: -126.377 where: short stacking energy: -61.741 Base-Backbone interact. energy: -0.047 local terms energy: -63.769769 where: bonds (distance) C4'-P energy: -9.199 bonds (distance) P-C4' energy: -13.774 flat angles C4'-P-C4' energy: -13.519 flat angles P-C4'-P energy: -8.290 tors. eta vs tors. theta energy: -18.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 320 Temperature: 1.100000 Total energy: -184.271908 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.271908 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.271908 (E_RNA) where: Base-Base interactions energy: -117.496 where: short stacking energy: -55.894 Base-Backbone interact. energy: -0.014 local terms energy: -66.761271 where: bonds (distance) C4'-P energy: -12.139 bonds (distance) P-C4' energy: -12.224 flat angles C4'-P-C4' energy: -16.399 flat angles P-C4'-P energy: -9.015 tors. eta vs tors. theta energy: -16.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 320 Temperature: 1.150000 Total energy: -191.207316 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.207316 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.207316 (E_RNA) where: Base-Base interactions energy: -128.896 where: short stacking energy: -54.862 Base-Backbone interact. energy: -0.089 local terms energy: -62.222252 where: bonds (distance) C4'-P energy: -10.564 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -12.999 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: -15.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 320 Temperature: 1.200000 Total energy: -177.916307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.916307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.916307 (E_RNA) where: Base-Base interactions energy: -122.539 where: short stacking energy: -51.117 Base-Backbone interact. energy: -0.079 local terms energy: -55.297960 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -10.699 flat angles C4'-P-C4' energy: -14.223 flat angles P-C4'-P energy: -5.994 tors. eta vs tors. theta energy: -10.427 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: 8 ===================================== Write number: 320 Temperature: 1.250000 Total energy: -79.221032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.221032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.221032 (E_RNA) where: Base-Base interactions energy: -29.438 where: short stacking energy: -29.438 Base-Backbone interact. energy: -0.240 local terms energy: -49.542451 where: bonds (distance) C4'-P energy: -10.619 bonds (distance) P-C4' energy: -10.867 flat angles C4'-P-C4' energy: -14.482 flat angles P-C4'-P energy: -7.568 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: 9, replica: 3 ===================================== Write number: 320 Temperature: 1.300000 Total energy: -67.944406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.944406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.944406 (E_RNA) where: Base-Base interactions energy: -27.909 where: short stacking energy: -25.014 Base-Backbone interact. energy: -0.154 local terms energy: -39.880779 where: bonds (distance) C4'-P energy: -12.355 bonds (distance) P-C4' energy: -9.387 flat angles C4'-P-C4' energy: -13.697 flat angles P-C4'-P energy: -4.703 tors. eta vs tors. theta energy: 0.261 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 320 Temperature: 1.350000 Total energy: -71.212856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.212856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.212856 (E_RNA) where: Base-Base interactions energy: -21.045 where: short stacking energy: -20.734 Base-Backbone interact. energy: -0.047 local terms energy: -50.121687 where: bonds (distance) C4'-P energy: -11.490 bonds (distance) P-C4' energy: -11.444 flat angles C4'-P-C4' energy: -11.192 flat angles P-C4'-P energy: -10.793 tors. eta vs tors. theta energy: -5.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 321 Temperature: 0.900000 Total energy: -209.897350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.897350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.897350 (E_RNA) where: Base-Base interactions energy: -133.325 where: short stacking energy: -60.412 Base-Backbone interact. energy: -0.343 local terms energy: -76.229274 where: bonds (distance) C4'-P energy: -15.385 bonds (distance) P-C4' energy: -15.095 flat angles C4'-P-C4' energy: -16.185 flat angles P-C4'-P energy: -10.487 tors. eta vs tors. theta energy: -19.077 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: 10 ===================================== Write number: 321 Temperature: 0.950000 Total energy: -209.778094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.778094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.778094 (E_RNA) where: Base-Base interactions energy: -138.172 where: short stacking energy: -54.710 Base-Backbone interact. energy: -0.113 local terms energy: -71.493147 where: bonds (distance) C4'-P energy: -11.704 bonds (distance) P-C4' energy: -15.311 flat angles C4'-P-C4' energy: -16.145 flat angles P-C4'-P energy: -13.250 tors. eta vs tors. theta energy: -15.082 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: 321 Temperature: 1.000000 Total energy: -193.401122 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.401122 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.401122 (E_RNA) where: Base-Base interactions energy: -121.937 where: short stacking energy: -56.446 Base-Backbone interact. energy: -1.389 local terms energy: -70.074697 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -14.504 flat angles P-C4'-P energy: -9.914 tors. eta vs tors. theta energy: -16.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 321 Temperature: 1.050000 Total energy: -188.793755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.793755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.793755 (E_RNA) where: Base-Base interactions energy: -122.536 where: short stacking energy: -55.118 Base-Backbone interact. energy: -0.252 local terms energy: -66.005076 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -15.363 flat angles P-C4'-P energy: -10.163 tors. eta vs tors. theta energy: -13.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 321 Temperature: 1.100000 Total energy: -188.833050 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.833050 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.833050 (E_RNA) where: Base-Base interactions energy: -123.087 where: short stacking energy: -58.923 Base-Backbone interact. energy: -0.398 local terms energy: -65.348281 where: bonds (distance) C4'-P energy: -11.120 bonds (distance) P-C4' energy: -13.370 flat angles C4'-P-C4' energy: -13.490 flat angles P-C4'-P energy: -10.034 tors. eta vs tors. theta energy: -17.334 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: 321 Temperature: 1.150000 Total energy: -194.175240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.175240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.175240 (E_RNA) where: Base-Base interactions energy: -130.032 where: short stacking energy: -57.918 Base-Backbone interact. energy: -0.002 local terms energy: -64.141768 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -10.724 flat angles C4'-P-C4' energy: -11.860 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -17.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 321 Temperature: 1.200000 Total energy: -172.408102 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.408102 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.408102 (E_RNA) where: Base-Base interactions energy: -110.369 where: short stacking energy: -42.429 Base-Backbone interact. energy: -0.172 local terms energy: -61.867091 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -14.782 flat angles P-C4'-P energy: -6.136 tors. eta vs tors. theta energy: -9.954 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: 8, replica: 3 ===================================== Write number: 321 Temperature: 1.250000 Total energy: -78.187555 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.187555 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.187555 (E_RNA) where: Base-Base interactions energy: -27.544 where: short stacking energy: -22.656 Base-Backbone interact. energy: -0.052 local terms energy: -50.591217 where: bonds (distance) C4'-P energy: -14.631 bonds (distance) P-C4' energy: -13.096 flat angles C4'-P-C4' energy: -9.656 flat angles P-C4'-P energy: -9.664 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: 9, replica: 8 ===================================== Write number: 321 Temperature: 1.300000 Total energy: -92.647244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -92.647244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -92.647244 (E_RNA) where: Base-Base interactions energy: -41.495 where: short stacking energy: -41.495 Base-Backbone interact. energy: -0.012 local terms energy: -51.140862 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -9.790 flat angles C4'-P-C4' energy: -11.510 flat angles P-C4'-P energy: -4.869 tors. eta vs tors. theta energy: -11.036 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: 7 ===================================== Write number: 321 Temperature: 1.350000 Total energy: -74.994996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.994996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.994996 (E_RNA) where: Base-Base interactions energy: -25.150 where: short stacking energy: -25.150 Base-Backbone interact. energy: 2.383 local terms energy: -52.228388 where: bonds (distance) C4'-P energy: -10.707 bonds (distance) P-C4' energy: -13.945 flat angles C4'-P-C4' energy: -10.463 flat angles P-C4'-P energy: -6.521 tors. eta vs tors. theta energy: -10.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 322 Temperature: 0.900000 Total energy: -212.108318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.108318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.108318 (E_RNA) where: Base-Base interactions energy: -143.530 where: short stacking energy: -58.671 Base-Backbone interact. energy: -0.675 local terms energy: -67.903523 where: bonds (distance) C4'-P energy: -13.566 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -16.157 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: -16.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 322 Temperature: 0.950000 Total energy: -211.285898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.285898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.285898 (E_RNA) where: Base-Base interactions energy: -141.044 where: short stacking energy: -64.493 Base-Backbone interact. energy: -0.001 local terms energy: -70.241478 where: bonds (distance) C4'-P energy: -10.163 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -15.131 flat angles P-C4'-P energy: -10.669 tors. eta vs tors. theta energy: -18.100 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 322 Temperature: 1.000000 Total energy: -205.326907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.326907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.326907 (E_RNA) where: Base-Base interactions energy: -132.933 where: short stacking energy: -61.851 Base-Backbone interact. energy: -0.109 local terms energy: -72.285474 where: bonds (distance) C4'-P energy: -15.707 bonds (distance) P-C4' energy: -14.057 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -11.501 tors. eta vs tors. theta energy: -16.966 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 322 Temperature: 1.050000 Total energy: -189.176742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.176742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.176742 (E_RNA) where: Base-Base interactions energy: -130.728 where: short stacking energy: -52.408 Base-Backbone interact. energy: 1.260 local terms energy: -59.708516 where: bonds (distance) C4'-P energy: -11.862 bonds (distance) P-C4' energy: -10.278 flat angles C4'-P-C4' energy: -13.667 flat angles P-C4'-P energy: -9.696 tors. eta vs tors. theta energy: -14.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 322 Temperature: 1.100000 Total energy: -178.591438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.591438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.591438 (E_RNA) where: Base-Base interactions energy: -111.779 where: short stacking energy: -54.819 Base-Backbone interact. energy: -0.000 local terms energy: -66.812226 where: bonds (distance) C4'-P energy: -10.549 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -11.889 flat angles P-C4'-P energy: -12.445 tors. eta vs tors. theta energy: -15.470 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: 322 Temperature: 1.150000 Total energy: -193.001512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.001512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.001512 (E_RNA) where: Base-Base interactions energy: -127.489 where: short stacking energy: -58.376 Base-Backbone interact. energy: -0.120 local terms energy: -65.393322 where: bonds (distance) C4'-P energy: -14.213 bonds (distance) P-C4' energy: -13.035 flat angles C4'-P-C4' energy: -12.004 flat angles P-C4'-P energy: -7.841 tors. eta vs tors. theta energy: -18.301 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 322 Temperature: 1.200000 Total energy: -171.200141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.200141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.200141 (E_RNA) where: Base-Base interactions energy: -106.395 where: short stacking energy: -45.354 Base-Backbone interact. energy: -0.054 local terms energy: -64.750863 where: bonds (distance) C4'-P energy: -15.330 bonds (distance) P-C4' energy: -14.911 flat angles C4'-P-C4' energy: -13.165 flat angles P-C4'-P energy: -9.854 tors. eta vs tors. theta energy: -11.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 322 Temperature: 1.250000 Total energy: -74.968999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.968999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.968999 (E_RNA) where: Base-Base interactions energy: -31.734 where: short stacking energy: -31.734 Base-Backbone interact. energy: 0.576 local terms energy: -43.810363 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -10.818 flat angles C4'-P-C4' energy: -12.868 flat angles P-C4'-P energy: -5.367 tors. eta vs tors. theta energy: -3.874 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 322 Temperature: 1.300000 Total energy: -81.225013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.225013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.225013 (E_RNA) where: Base-Base interactions energy: -33.714 where: short stacking energy: -30.093 Base-Backbone interact. energy: 1.280 local terms energy: -48.790219 where: bonds (distance) C4'-P energy: -9.154 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -8.401 flat angles P-C4'-P energy: -11.744 tors. eta vs tors. theta energy: -4.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 322 Temperature: 1.350000 Total energy: -67.956314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.956314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.956314 (E_RNA) where: Base-Base interactions energy: -24.445 where: short stacking energy: -24.445 Base-Backbone interact. energy: -0.096 local terms energy: -43.415576 where: bonds (distance) C4'-P energy: -9.920 bonds (distance) P-C4' energy: -16.302 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -2.123 tors. eta vs tors. theta energy: -1.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 323 Temperature: 0.900000 Total energy: -206.778661 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.778661 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.778661 (E_RNA) where: Base-Base interactions energy: -139.620 where: short stacking energy: -64.150 Base-Backbone interact. energy: -0.040 local terms energy: -67.118621 where: bonds (distance) C4'-P energy: -14.362 bonds (distance) P-C4' energy: -12.564 flat angles C4'-P-C4' energy: -11.246 flat angles P-C4'-P energy: -10.083 tors. eta vs tors. theta energy: -18.863 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: 2 ===================================== Write number: 323 Temperature: 0.950000 Total energy: -205.635437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.635437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.635437 (E_RNA) where: Base-Base interactions energy: -136.101 where: short stacking energy: -68.832 Base-Backbone interact. energy: -0.001 local terms energy: -69.533550 where: bonds (distance) C4'-P energy: -8.980 bonds (distance) P-C4' energy: -15.568 flat angles C4'-P-C4' energy: -16.008 flat angles P-C4'-P energy: -11.867 tors. eta vs tors. theta energy: -17.110 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: 1 ===================================== Write number: 323 Temperature: 1.000000 Total energy: -198.476026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.476026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.476026 (E_RNA) where: Base-Base interactions energy: -132.994 where: short stacking energy: -55.494 Base-Backbone interact. energy: -0.040 local terms energy: -65.442065 where: bonds (distance) C4'-P energy: -12.209 bonds (distance) P-C4' energy: -12.575 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -9.421 tors. eta vs tors. theta energy: -17.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 323 Temperature: 1.050000 Total energy: -191.151031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.151031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.151031 (E_RNA) where: Base-Base interactions energy: -126.827 where: short stacking energy: -55.740 Base-Backbone interact. energy: -0.122 local terms energy: -64.202462 where: bonds (distance) C4'-P energy: -7.953 bonds (distance) P-C4' energy: -15.632 flat angles C4'-P-C4' energy: -16.977 flat angles P-C4'-P energy: -8.346 tors. eta vs tors. theta energy: -15.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 323 Temperature: 1.100000 Total energy: -179.429096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.429096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.429096 (E_RNA) where: Base-Base interactions energy: -114.717 where: short stacking energy: -56.379 Base-Backbone interact. energy: -0.169 local terms energy: -64.542822 where: bonds (distance) C4'-P energy: -14.548 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -12.606 flat angles P-C4'-P energy: -8.982 tors. eta vs tors. theta energy: -13.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 323 Temperature: 1.150000 Total energy: -183.026276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.026276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.026276 (E_RNA) where: Base-Base interactions energy: -127.597 where: short stacking energy: -57.844 Base-Backbone interact. energy: -0.000 local terms energy: -55.429304 where: bonds (distance) C4'-P energy: -11.275 bonds (distance) P-C4' energy: -8.561 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -15.642 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: 7, replica: 9 ===================================== Write number: 323 Temperature: 1.200000 Total energy: -185.045293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.045293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.045293 (E_RNA) where: Base-Base interactions energy: -119.563 where: short stacking energy: -58.954 Base-Backbone interact. energy: 0.667 local terms energy: -66.149696 where: bonds (distance) C4'-P energy: -13.981 bonds (distance) P-C4' energy: -13.849 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -9.862 tors. eta vs tors. theta energy: -15.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 323 Temperature: 1.250000 Total energy: -87.699984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.699984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.699984 (E_RNA) where: Base-Base interactions energy: -34.154 where: short stacking energy: -32.734 Base-Backbone interact. energy: -0.092 local terms energy: -53.454078 where: bonds (distance) C4'-P energy: -14.524 bonds (distance) P-C4' energy: -10.270 flat angles C4'-P-C4' energy: -13.586 flat angles P-C4'-P energy: -1.921 tors. eta vs tors. theta energy: -13.154 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: 9, replica: 3 ===================================== Write number: 323 Temperature: 1.300000 Total energy: -77.200311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.200311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.200311 (E_RNA) where: Base-Base interactions energy: -28.450 where: short stacking energy: -26.599 Base-Backbone interact. energy: -0.081 local terms energy: -48.668852 where: bonds (distance) C4'-P energy: -10.354 bonds (distance) P-C4' energy: -14.674 flat angles C4'-P-C4' energy: -9.519 flat angles P-C4'-P energy: -5.966 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: 10, replica: 8 ===================================== Write number: 323 Temperature: 1.350000 Total energy: -72.141643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.141643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.141643 (E_RNA) where: Base-Base interactions energy: -28.607 where: short stacking energy: -27.144 Base-Backbone interact. energy: -0.124 local terms energy: -43.410908 where: bonds (distance) C4'-P energy: -10.756 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -13.281 flat angles P-C4'-P energy: -5.515 tors. eta vs tors. theta energy: 1.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 324 Temperature: 0.900000 Total energy: -203.740938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.740938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.740938 (E_RNA) where: Base-Base interactions energy: -133.541 where: short stacking energy: -67.617 Base-Backbone interact. energy: -0.032 local terms energy: -70.168115 where: bonds (distance) C4'-P energy: -12.983 bonds (distance) P-C4' energy: -13.982 flat angles C4'-P-C4' energy: -12.584 flat angles P-C4'-P energy: -11.583 tors. eta vs tors. theta energy: -19.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 324 Temperature: 0.950000 Total energy: -208.356235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.356235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.356235 (E_RNA) where: Base-Base interactions energy: -140.235 where: short stacking energy: -60.849 Base-Backbone interact. energy: -0.001 local terms energy: -68.120139 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -12.193 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -9.990 tors. eta vs tors. theta energy: -20.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 324 Temperature: 1.000000 Total energy: -198.794222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.794222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.794222 (E_RNA) where: Base-Base interactions energy: -128.107 where: short stacking energy: -59.895 Base-Backbone interact. energy: -0.885 local terms energy: -69.801991 where: bonds (distance) C4'-P energy: -11.775 bonds (distance) P-C4' energy: -13.166 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -19.487 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 324 Temperature: 1.050000 Total energy: -196.754611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.754611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.754611 (E_RNA) where: Base-Base interactions energy: -127.424 where: short stacking energy: -57.690 Base-Backbone interact. energy: -0.016 local terms energy: -69.314570 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -11.245 flat angles C4'-P-C4' energy: -16.073 flat angles P-C4'-P energy: -10.949 tors. eta vs tors. theta energy: -17.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 324 Temperature: 1.100000 Total energy: -186.474012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.474012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.474012 (E_RNA) where: Base-Base interactions energy: -121.875 where: short stacking energy: -58.720 Base-Backbone interact. energy: -0.002 local terms energy: -64.597173 where: bonds (distance) C4'-P energy: -12.456 bonds (distance) P-C4' energy: -13.601 flat angles C4'-P-C4' energy: -14.073 flat angles P-C4'-P energy: -10.458 tors. eta vs tors. theta energy: -14.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 324 Temperature: 1.150000 Total energy: -176.293242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.293242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.293242 (E_RNA) where: Base-Base interactions energy: -110.379 where: short stacking energy: -44.013 Base-Backbone interact. energy: -0.008 local terms energy: -65.906304 where: bonds (distance) C4'-P energy: -14.321 bonds (distance) P-C4' energy: -14.371 flat angles C4'-P-C4' energy: -15.783 flat angles P-C4'-P energy: -8.304 tors. eta vs tors. theta energy: -13.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 324 Temperature: 1.200000 Total energy: -173.884479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.884479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.884479 (E_RNA) where: Base-Base interactions energy: -119.437 where: short stacking energy: -51.485 Base-Backbone interact. energy: -0.311 local terms energy: -54.137287 where: bonds (distance) C4'-P energy: -11.364 bonds (distance) P-C4' energy: -12.033 flat angles C4'-P-C4' energy: -12.090 flat angles P-C4'-P energy: -7.412 tors. eta vs tors. theta energy: -11.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 324 Temperature: 1.250000 Total energy: -79.758681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.758681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.758681 (E_RNA) where: Base-Base interactions energy: -34.083 where: short stacking energy: -27.233 Base-Backbone interact. energy: -0.126 local terms energy: -45.550426 where: bonds (distance) C4'-P energy: -13.185 bonds (distance) P-C4' energy: -10.562 flat angles C4'-P-C4' energy: -10.185 flat angles P-C4'-P energy: -9.293 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: 8 ===================================== Write number: 324 Temperature: 1.300000 Total energy: -71.564070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.564070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.564070 (E_RNA) where: Base-Base interactions energy: -25.073 where: short stacking energy: -24.561 Base-Backbone interact. energy: -0.098 local terms energy: -46.392794 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -14.967 flat angles C4'-P-C4' energy: -11.264 flat angles P-C4'-P energy: -1.231 tors. eta vs tors. theta energy: -3.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 324 Temperature: 1.350000 Total energy: -71.521982 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.521982 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.521982 (E_RNA) where: Base-Base interactions energy: -29.716 where: short stacking energy: -26.556 Base-Backbone interact. energy: -1.191 local terms energy: -40.615130 where: bonds (distance) C4'-P energy: -9.721 bonds (distance) P-C4' energy: -14.452 flat angles C4'-P-C4' energy: -12.068 flat angles P-C4'-P energy: -3.191 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: 1, replica: 10 ===================================== Write number: 325 Temperature: 0.900000 Total energy: -210.745452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.745452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.745452 (E_RNA) where: Base-Base interactions energy: -133.142 where: short stacking energy: -69.365 Base-Backbone interact. energy: -0.058 local terms energy: -77.545329 where: bonds (distance) C4'-P energy: -14.585 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -17.090 flat angles P-C4'-P energy: -11.715 tors. eta vs tors. theta energy: -19.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 325 Temperature: 0.950000 Total energy: -204.026313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.026313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.026313 (E_RNA) where: Base-Base interactions energy: -133.165 where: short stacking energy: -67.205 Base-Backbone interact. energy: -0.000 local terms energy: -70.860891 where: bonds (distance) C4'-P energy: -10.201 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -15.703 flat angles P-C4'-P energy: -9.052 tors. eta vs tors. theta energy: -20.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 325 Temperature: 1.000000 Total energy: -202.974218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.974218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.974218 (E_RNA) where: Base-Base interactions energy: -132.699 where: short stacking energy: -67.858 Base-Backbone interact. energy: -0.013 local terms energy: -70.261573 where: bonds (distance) C4'-P energy: -11.994 bonds (distance) P-C4' energy: -15.681 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -10.450 tors. eta vs tors. theta energy: -17.828 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: 6 ===================================== Write number: 325 Temperature: 1.050000 Total energy: -186.414433 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.414433 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.414433 (E_RNA) where: Base-Base interactions energy: -124.937 where: short stacking energy: -56.834 Base-Backbone interact. energy: -0.076 local terms energy: -61.401584 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -12.730 flat angles C4'-P-C4' energy: -13.302 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -12.136 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: 5 ===================================== Write number: 325 Temperature: 1.100000 Total energy: -190.398438 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.398438 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.398438 (E_RNA) where: Base-Base interactions energy: -130.243 where: short stacking energy: -68.767 Base-Backbone interact. energy: -0.015 local terms energy: -60.140607 where: bonds (distance) C4'-P energy: -9.075 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -11.726 flat angles P-C4'-P energy: -9.387 tors. eta vs tors. theta energy: -16.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 325 Temperature: 1.150000 Total energy: -176.611777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.611777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.611777 (E_RNA) where: Base-Base interactions energy: -117.907 where: short stacking energy: -59.985 Base-Backbone interact. energy: -0.286 local terms energy: -58.419277 where: bonds (distance) C4'-P energy: -8.812 bonds (distance) P-C4' energy: -11.706 flat angles C4'-P-C4' energy: -15.988 flat angles P-C4'-P energy: -5.454 tors. eta vs tors. theta energy: -16.460 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 325 Temperature: 1.200000 Total energy: -181.571942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.571942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.571942 (E_RNA) where: Base-Base interactions energy: -120.919 where: short stacking energy: -52.710 Base-Backbone interact. energy: -0.068 local terms energy: -60.583969 where: bonds (distance) C4'-P energy: -13.687 bonds (distance) P-C4' energy: -10.927 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -6.853 tors. eta vs tors. theta energy: -15.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 325 Temperature: 1.250000 Total energy: -88.341135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.341135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.341135 (E_RNA) where: Base-Base interactions energy: -42.634 where: short stacking energy: -31.559 Base-Backbone interact. energy: -0.068 local terms energy: -45.638550 where: bonds (distance) C4'-P energy: -7.916 bonds (distance) P-C4' energy: -10.282 flat angles C4'-P-C4' energy: -11.231 flat angles P-C4'-P energy: -6.177 tors. eta vs tors. theta energy: -10.032 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: 7 ===================================== Write number: 325 Temperature: 1.300000 Total energy: -68.866512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.866512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.866512 (E_RNA) where: Base-Base interactions energy: -26.215 where: short stacking energy: -24.958 Base-Backbone interact. energy: -0.071 local terms energy: -42.579853 where: bonds (distance) C4'-P energy: -11.509 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -13.251 flat angles P-C4'-P energy: -3.543 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: 10, replica: 3 ===================================== Write number: 325 Temperature: 1.350000 Total energy: -69.376010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.376010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.376010 (E_RNA) where: Base-Base interactions energy: -27.404 where: short stacking energy: -27.404 Base-Backbone interact. energy: 0.784 local terms energy: -42.755962 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -10.614 flat angles C4'-P-C4' energy: -10.292 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -3.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 326 Temperature: 0.900000 Total energy: -208.187336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.187336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.187336 (E_RNA) where: Base-Base interactions energy: -135.773 where: short stacking energy: -66.472 Base-Backbone interact. energy: -0.002 local terms energy: -72.412180 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -14.853 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -11.510 tors. eta vs tors. theta energy: -17.660 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 326 Temperature: 0.950000 Total energy: -201.756964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.756964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.756964 (E_RNA) where: Base-Base interactions energy: -132.875 where: short stacking energy: -59.985 Base-Backbone interact. energy: -0.116 local terms energy: -68.766744 where: bonds (distance) C4'-P energy: -15.003 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -13.183 flat angles P-C4'-P energy: -10.037 tors. eta vs tors. theta energy: -17.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 326 Temperature: 1.000000 Total energy: -187.843506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.843506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.843506 (E_RNA) where: Base-Base interactions energy: -124.226 where: short stacking energy: -58.205 Base-Backbone interact. energy: -0.137 local terms energy: -63.479773 where: bonds (distance) C4'-P energy: -10.609 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -15.104 flat angles P-C4'-P energy: -11.876 tors. eta vs tors. theta energy: -13.342 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 326 Temperature: 1.050000 Total energy: -203.387590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.387590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.387590 (E_RNA) where: Base-Base interactions energy: -142.265 where: short stacking energy: -72.013 Base-Backbone interact. energy: -0.294 local terms energy: -60.828232 where: bonds (distance) C4'-P energy: -10.755 bonds (distance) P-C4' energy: -11.879 flat angles C4'-P-C4' energy: -9.233 flat angles P-C4'-P energy: -8.954 tors. eta vs tors. theta energy: -20.006 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: 9 ===================================== Write number: 326 Temperature: 1.100000 Total energy: -190.380828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.380828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.380828 (E_RNA) where: Base-Base interactions energy: -124.322 where: short stacking energy: -59.896 Base-Backbone interact. energy: -0.136 local terms energy: -65.922425 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -10.886 flat angles P-C4'-P energy: -9.136 tors. eta vs tors. theta energy: -16.937 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 326 Temperature: 1.150000 Total energy: -182.253850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.253850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.253850 (E_RNA) where: Base-Base interactions energy: -114.605 where: short stacking energy: -57.111 Base-Backbone interact. energy: -0.059 local terms energy: -67.589820 where: bonds (distance) C4'-P energy: -12.835 bonds (distance) P-C4' energy: -13.834 flat angles C4'-P-C4' energy: -15.270 flat angles P-C4'-P energy: -11.480 tors. eta vs tors. theta energy: -14.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 326 Temperature: 1.200000 Total energy: -170.600811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.600811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.600811 (E_RNA) where: Base-Base interactions energy: -112.666 where: short stacking energy: -52.223 Base-Backbone interact. energy: -0.198 local terms energy: -57.737525 where: bonds (distance) C4'-P energy: -11.522 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -13.300 flat angles P-C4'-P energy: -8.782 tors. eta vs tors. theta energy: -10.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 326 Temperature: 1.250000 Total energy: -78.353629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.353629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.353629 (E_RNA) where: Base-Base interactions energy: -43.029 where: short stacking energy: -32.349 Base-Backbone interact. energy: 0.281 local terms energy: -35.605580 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -11.971 flat angles C4'-P-C4' energy: -7.758 flat angles P-C4'-P energy: -1.564 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: 3 ===================================== Write number: 326 Temperature: 1.300000 Total energy: -71.028862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.028862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.028862 (E_RNA) where: Base-Base interactions energy: -25.320 where: short stacking energy: -25.320 Base-Backbone interact. energy: -0.024 local terms energy: -45.685318 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -13.931 flat angles C4'-P-C4' energy: -11.892 flat angles P-C4'-P energy: -7.529 tors. eta vs tors. theta energy: 1.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 326 Temperature: 1.350000 Total energy: -79.488881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.488881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.488881 (E_RNA) where: Base-Base interactions energy: -32.198 where: short stacking energy: -25.229 Base-Backbone interact. energy: -0.031 local terms energy: -47.260024 where: bonds (distance) C4'-P energy: -11.547 bonds (distance) P-C4' energy: -15.389 flat angles C4'-P-C4' energy: -8.864 flat angles P-C4'-P energy: -8.769 tors. eta vs tors. theta energy: -2.692 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 327 Temperature: 0.900000 Total energy: -207.963309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.963309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.963309 (E_RNA) where: Base-Base interactions energy: -138.507 where: short stacking energy: -60.001 Base-Backbone interact. energy: 0.836 local terms energy: -70.292694 where: bonds (distance) C4'-P energy: -13.738 bonds (distance) P-C4' energy: -15.251 flat angles C4'-P-C4' energy: -14.569 flat angles P-C4'-P energy: -9.878 tors. eta vs tors. theta energy: -16.856 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: 2, replica: 6 ===================================== Write number: 327 Temperature: 0.950000 Total energy: -194.545120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.545120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.545120 (E_RNA) where: Base-Base interactions energy: -134.057 where: short stacking energy: -68.056 Base-Backbone interact. energy: -0.284 local terms energy: -60.203566 where: bonds (distance) C4'-P energy: -8.100 bonds (distance) P-C4' energy: -11.310 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -12.232 tors. eta vs tors. theta energy: -15.810 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 327 Temperature: 1.000000 Total energy: -197.898080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.898080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.898080 (E_RNA) where: Base-Base interactions energy: -127.821 where: short stacking energy: -63.301 Base-Backbone interact. energy: -0.002 local terms energy: -70.075096 where: bonds (distance) C4'-P energy: -10.764 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -11.758 tors. eta vs tors. theta energy: -19.691 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 327 Temperature: 1.050000 Total energy: -190.502515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.502515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.502515 (E_RNA) where: Base-Base interactions energy: -122.899 where: short stacking energy: -57.734 Base-Backbone interact. energy: 2.703 local terms energy: -70.307165 where: bonds (distance) C4'-P energy: -13.977 bonds (distance) P-C4' energy: -13.626 flat angles C4'-P-C4' energy: -13.822 flat angles P-C4'-P energy: -11.766 tors. eta vs tors. theta energy: -17.116 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: 5, replica: 2 ===================================== Write number: 327 Temperature: 1.100000 Total energy: -191.750624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.750624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.750624 (E_RNA) where: Base-Base interactions energy: -131.578 where: short stacking energy: -62.075 Base-Backbone interact. energy: -0.010 local terms energy: -60.162460 where: bonds (distance) C4'-P energy: -10.937 bonds (distance) P-C4' energy: -13.589 flat angles C4'-P-C4' energy: -13.460 flat angles P-C4'-P energy: -5.273 tors. eta vs tors. theta energy: -16.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 327 Temperature: 1.150000 Total energy: -187.293322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.293322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.293322 (E_RNA) where: Base-Base interactions energy: -125.791 where: short stacking energy: -60.486 Base-Backbone interact. energy: -0.022 local terms energy: -61.479722 where: bonds (distance) C4'-P energy: -9.237 bonds (distance) P-C4' energy: -14.868 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -8.231 tors. eta vs tors. theta energy: -17.700 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: 7, replica: 5 ===================================== Write number: 327 Temperature: 1.200000 Total energy: -181.713219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.713219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.713219 (E_RNA) where: Base-Base interactions energy: -124.287 where: short stacking energy: -49.459 Base-Backbone interact. energy: -0.034 local terms energy: -57.392609 where: bonds (distance) C4'-P energy: -11.729 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -10.358 flat angles P-C4'-P energy: -7.745 tors. eta vs tors. theta energy: -13.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 327 Temperature: 1.250000 Total energy: -75.464361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.464361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.464361 (E_RNA) where: Base-Base interactions energy: -28.433 where: short stacking energy: -28.633 Base-Backbone interact. energy: -0.230 local terms energy: -46.801035 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -13.061 flat angles C4'-P-C4' energy: -11.462 flat angles P-C4'-P energy: -8.263 tors. eta vs tors. theta energy: -0.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 327 Temperature: 1.300000 Total energy: -69.468669 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.468669 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.468669 (E_RNA) where: Base-Base interactions energy: -28.289 where: short stacking energy: -28.289 Base-Backbone interact. energy: -0.223 local terms energy: -40.956860 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -13.047 flat angles C4'-P-C4' energy: -8.777 flat angles P-C4'-P energy: -6.964 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: 10, replica: 7 ===================================== Write number: 327 Temperature: 1.350000 Total energy: -81.778713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.778713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.778713 (E_RNA) where: Base-Base interactions energy: -31.987 where: short stacking energy: -31.131 Base-Backbone interact. energy: 0.533 local terms energy: -50.325403 where: bonds (distance) C4'-P energy: -12.499 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -11.574 flat angles P-C4'-P energy: -4.937 tors. eta vs tors. theta energy: -7.385 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 328 Temperature: 0.900000 Total energy: -206.800788 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.800788 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.800788 (E_RNA) where: Base-Base interactions energy: -141.460 where: short stacking energy: -68.443 Base-Backbone interact. energy: -0.418 local terms energy: -64.923678 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -12.179 flat angles P-C4'-P energy: -8.553 tors. eta vs tors. theta energy: -19.534 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 328 Temperature: 0.950000 Total energy: -191.083350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.083350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.083350 (E_RNA) where: Base-Base interactions energy: -121.785 where: short stacking energy: -55.235 Base-Backbone interact. energy: -0.578 local terms energy: -68.719698 where: bonds (distance) C4'-P energy: -12.616 bonds (distance) P-C4' energy: -12.963 flat angles C4'-P-C4' energy: -16.421 flat angles P-C4'-P energy: -12.081 tors. eta vs tors. theta energy: -14.639 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 328 Temperature: 1.000000 Total energy: -200.776217 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.776217 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.776217 (E_RNA) where: Base-Base interactions energy: -133.101 where: short stacking energy: -57.532 Base-Backbone interact. energy: -0.001 local terms energy: -67.674190 where: bonds (distance) C4'-P energy: -14.380 bonds (distance) P-C4' energy: -14.864 flat angles C4'-P-C4' energy: -14.024 flat angles P-C4'-P energy: -4.883 tors. eta vs tors. theta energy: -19.523 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 328 Temperature: 1.050000 Total energy: -201.482352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.482352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.482352 (E_RNA) where: Base-Base interactions energy: -127.720 where: short stacking energy: -64.226 Base-Backbone interact. energy: -0.002 local terms energy: -73.760383 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -15.018 flat angles C4'-P-C4' energy: -13.970 flat angles P-C4'-P energy: -12.073 tors. eta vs tors. theta energy: -18.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 328 Temperature: 1.100000 Total energy: -198.548652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.548652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.548652 (E_RNA) where: Base-Base interactions energy: -133.966 where: short stacking energy: -60.188 Base-Backbone interact. energy: -0.005 local terms energy: -64.578000 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -12.425 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -8.212 tors. eta vs tors. theta energy: -16.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 328 Temperature: 1.150000 Total energy: -195.852065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.852065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.852065 (E_RNA) where: Base-Base interactions energy: -130.741 where: short stacking energy: -62.239 Base-Backbone interact. energy: -0.043 local terms energy: -65.068139 where: bonds (distance) C4'-P energy: -12.305 bonds (distance) P-C4' energy: -13.120 flat angles C4'-P-C4' energy: -11.801 flat angles P-C4'-P energy: -8.258 tors. eta vs tors. theta energy: -19.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 328 Temperature: 1.200000 Total energy: -174.928456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.928456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.928456 (E_RNA) where: Base-Base interactions energy: -109.769 where: short stacking energy: -55.605 Base-Backbone interact. energy: -0.000 local terms energy: -65.159545 where: bonds (distance) C4'-P energy: -9.974 bonds (distance) P-C4' energy: -15.464 flat angles C4'-P-C4' energy: -14.055 flat angles P-C4'-P energy: -7.535 tors. eta vs tors. theta energy: -18.133 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 328 Temperature: 1.250000 Total energy: -87.058735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.058735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.058735 (E_RNA) where: Base-Base interactions energy: -36.344 where: short stacking energy: -34.314 Base-Backbone interact. energy: -0.002 local terms energy: -50.712345 where: bonds (distance) C4'-P energy: -14.320 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -8.558 flat angles P-C4'-P energy: -8.317 tors. eta vs tors. theta energy: -8.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 328 Temperature: 1.300000 Total energy: -69.284715 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.284715 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.284715 (E_RNA) where: Base-Base interactions energy: -21.537 where: short stacking energy: -21.537 Base-Backbone interact. energy: -0.243 local terms energy: -47.505497 where: bonds (distance) C4'-P energy: -10.318 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -9.039 tors. eta vs tors. theta energy: -0.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 328 Temperature: 1.350000 Total energy: -73.982741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.982741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.982741 (E_RNA) where: Base-Base interactions energy: -23.955 where: short stacking energy: -22.786 Base-Backbone interact. energy: -0.172 local terms energy: -49.856493 where: bonds (distance) C4'-P energy: -9.319 bonds (distance) P-C4' energy: -13.485 flat angles C4'-P-C4' energy: -15.371 flat angles P-C4'-P energy: -8.946 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: 10 ===================================== Write number: 329 Temperature: 0.900000 Total energy: -206.135054 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.135054 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.135054 (E_RNA) where: Base-Base interactions energy: -132.208 where: short stacking energy: -59.066 Base-Backbone interact. energy: -0.002 local terms energy: -73.925582 where: bonds (distance) C4'-P energy: -13.563 bonds (distance) P-C4' energy: -15.749 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -11.331 tors. eta vs tors. theta energy: -19.154 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: 9 ===================================== Write number: 329 Temperature: 0.950000 Total energy: -212.490937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.490937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.490937 (E_RNA) where: Base-Base interactions energy: -141.666 where: short stacking energy: -66.526 Base-Backbone interact. energy: -0.096 local terms energy: -70.729404 where: bonds (distance) C4'-P energy: -14.344 bonds (distance) P-C4' energy: -13.986 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -10.754 tors. eta vs tors. theta energy: -18.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 329 Temperature: 1.000000 Total energy: -202.435434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.435434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.435434 (E_RNA) where: Base-Base interactions energy: -135.642 where: short stacking energy: -59.158 Base-Backbone interact. energy: -0.005 local terms energy: -66.788344 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -12.982 flat angles C4'-P-C4' energy: -13.869 flat angles P-C4'-P energy: -7.102 tors. eta vs tors. theta energy: -19.306 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 329 Temperature: 1.050000 Total energy: -208.837086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.837086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.837086 (E_RNA) where: Base-Base interactions energy: -135.893 where: short stacking energy: -65.919 Base-Backbone interact. energy: -0.011 local terms energy: -72.933363 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -11.573 flat angles C4'-P-C4' energy: -13.805 flat angles P-C4'-P energy: -13.167 tors. eta vs tors. theta energy: -21.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 329 Temperature: 1.100000 Total energy: -194.863436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.863436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.863436 (E_RNA) where: Base-Base interactions energy: -131.526 where: short stacking energy: -61.463 Base-Backbone interact. energy: -0.001 local terms energy: -63.336270 where: bonds (distance) C4'-P energy: -16.026 bonds (distance) P-C4' energy: -11.322 flat angles C4'-P-C4' energy: -12.041 flat angles P-C4'-P energy: -9.383 tors. eta vs tors. theta energy: -14.563 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: 5 ===================================== Write number: 329 Temperature: 1.150000 Total energy: -173.531501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.531501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.531501 (E_RNA) where: Base-Base interactions energy: -110.533 where: short stacking energy: -49.646 Base-Backbone interact. energy: -0.691 local terms energy: -62.307463 where: bonds (distance) C4'-P energy: -13.165 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -14.069 flat angles P-C4'-P energy: -11.296 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: 7, replica: 2 ===================================== Write number: 329 Temperature: 1.200000 Total energy: -173.489134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.489134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.489134 (E_RNA) where: Base-Base interactions energy: -114.216 where: short stacking energy: -53.003 Base-Backbone interact. energy: -0.018 local terms energy: -59.254785 where: bonds (distance) C4'-P energy: -8.384 bonds (distance) P-C4' energy: -12.976 flat angles C4'-P-C4' energy: -14.680 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -14.606 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: 8 ===================================== Write number: 329 Temperature: 1.250000 Total energy: -80.884914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.884914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.884914 (E_RNA) where: Base-Base interactions energy: -30.847 where: short stacking energy: -30.847 Base-Backbone interact. energy: -0.377 local terms energy: -49.661487 where: bonds (distance) C4'-P energy: -15.048 bonds (distance) P-C4' energy: -15.996 flat angles C4'-P-C4' energy: -13.445 flat angles P-C4'-P energy: -5.230 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: 3 ===================================== Write number: 329 Temperature: 1.300000 Total energy: -69.946474 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.946474 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.946474 (E_RNA) where: Base-Base interactions energy: -25.937 where: short stacking energy: -24.582 Base-Backbone interact. energy: 1.036 local terms energy: -45.045952 where: bonds (distance) C4'-P energy: -10.908 bonds (distance) P-C4' energy: -11.993 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -3.483 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: 10, replica: 7 ===================================== Write number: 329 Temperature: 1.350000 Total energy: -84.949960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.949960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.949960 (E_RNA) where: Base-Base interactions energy: -31.365 where: short stacking energy: -31.365 Base-Backbone interact. energy: -0.038 local terms energy: -53.547486 where: bonds (distance) C4'-P energy: -10.642 bonds (distance) P-C4' energy: -16.916 flat angles C4'-P-C4' energy: -12.647 flat angles P-C4'-P energy: -5.614 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: 1, replica: 10 ===================================== Write number: 330 Temperature: 0.900000 Total energy: -215.491565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.491565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.491565 (E_RNA) where: Base-Base interactions energy: -141.135 where: short stacking energy: -64.688 Base-Backbone interact. energy: -0.578 local terms energy: -73.778463 where: bonds (distance) C4'-P energy: -13.290 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -16.650 flat angles P-C4'-P energy: -10.295 tors. eta vs tors. theta energy: -18.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 330 Temperature: 0.950000 Total energy: -205.163503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.163503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.163503 (E_RNA) where: Base-Base interactions energy: -138.881 where: short stacking energy: -65.920 Base-Backbone interact. energy: -0.001 local terms energy: -66.282154 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -12.156 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -11.122 tors. eta vs tors. theta energy: -20.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 330 Temperature: 1.000000 Total energy: -198.672836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.672836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.672836 (E_RNA) where: Base-Base interactions energy: -131.205 where: short stacking energy: -58.066 Base-Backbone interact. energy: -0.004 local terms energy: -67.464217 where: bonds (distance) C4'-P energy: -12.711 bonds (distance) P-C4' energy: -15.604 flat angles C4'-P-C4' energy: -10.698 flat angles P-C4'-P energy: -8.791 tors. eta vs tors. theta energy: -19.661 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: 4, replica: 6 ===================================== Write number: 330 Temperature: 1.050000 Total energy: -201.672385 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.672385 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.672385 (E_RNA) where: Base-Base interactions energy: -131.465 where: short stacking energy: -62.843 Base-Backbone interact. energy: -0.006 local terms energy: -70.201139 where: bonds (distance) C4'-P energy: -10.917 bonds (distance) P-C4' energy: -14.663 flat angles C4'-P-C4' energy: -16.332 flat angles P-C4'-P energy: -10.830 tors. eta vs tors. theta energy: -17.458 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 330 Temperature: 1.100000 Total energy: -192.321574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.321574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.321574 (E_RNA) where: Base-Base interactions energy: -124.811 where: short stacking energy: -54.323 Base-Backbone interact. energy: -0.008 local terms energy: -67.503494 where: bonds (distance) C4'-P energy: -11.552 bonds (distance) P-C4' energy: -14.721 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -11.072 tors. eta vs tors. theta energy: -16.837 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: 6, replica: 1 ===================================== Write number: 330 Temperature: 1.150000 Total energy: -183.157836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.157836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.157836 (E_RNA) where: Base-Base interactions energy: -118.358 where: short stacking energy: -55.665 Base-Backbone interact. energy: -0.030 local terms energy: -64.769424 where: bonds (distance) C4'-P energy: -10.046 bonds (distance) P-C4' energy: -13.011 flat angles C4'-P-C4' energy: -15.856 flat angles P-C4'-P energy: -10.749 tors. eta vs tors. theta energy: -15.108 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 330 Temperature: 1.200000 Total energy: -175.086506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.086506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.086506 (E_RNA) where: Base-Base interactions energy: -109.778 where: short stacking energy: -44.749 Base-Backbone interact. energy: -0.028 local terms energy: -65.280649 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -15.671 flat angles C4'-P-C4' energy: -11.951 flat angles P-C4'-P energy: -12.254 tors. eta vs tors. theta energy: -11.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 330 Temperature: 1.250000 Total energy: -91.108275 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.108275 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.108275 (E_RNA) where: Base-Base interactions energy: -42.411 where: short stacking energy: -30.918 Base-Backbone interact. energy: -0.003 local terms energy: -48.693829 where: bonds (distance) C4'-P energy: -13.172 bonds (distance) P-C4' energy: -12.639 flat angles C4'-P-C4' energy: -12.150 flat angles P-C4'-P energy: -1.173 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: 9, replica: 7 ===================================== Write number: 330 Temperature: 1.300000 Total energy: -73.531441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.531441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.531441 (E_RNA) where: Base-Base interactions energy: -28.566 where: short stacking energy: -28.566 Base-Backbone interact. energy: -0.097 local terms energy: -44.868287 where: bonds (distance) C4'-P energy: -11.204 bonds (distance) P-C4' energy: -14.955 flat angles C4'-P-C4' energy: -8.499 flat angles P-C4'-P energy: -8.159 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: 10, replica: 3 ===================================== Write number: 330 Temperature: 1.350000 Total energy: -76.891633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.891633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.891633 (E_RNA) where: Base-Base interactions energy: -34.377 where: short stacking energy: -34.423 Base-Backbone interact. energy: -0.064 local terms energy: -42.451317 where: bonds (distance) C4'-P energy: -9.257 bonds (distance) P-C4' energy: -12.392 flat angles C4'-P-C4' energy: -8.255 flat angles P-C4'-P energy: -8.882 tors. eta vs tors. theta energy: -3.664 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 331 Temperature: 0.900000 Total energy: -216.876903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -216.876903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -216.876903 (E_RNA) where: Base-Base interactions energy: -144.911 where: short stacking energy: -62.806 Base-Backbone interact. energy: -0.296 local terms energy: -71.670753 where: bonds (distance) C4'-P energy: -13.418 bonds (distance) P-C4' energy: -13.536 flat angles C4'-P-C4' energy: -15.178 flat angles P-C4'-P energy: -9.325 tors. eta vs tors. theta energy: -20.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 331 Temperature: 0.950000 Total energy: -209.616683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.616683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.616683 (E_RNA) where: Base-Base interactions energy: -140.767 where: short stacking energy: -59.404 Base-Backbone interact. energy: -0.011 local terms energy: -68.838706 where: bonds (distance) C4'-P energy: -8.534 bonds (distance) P-C4' energy: -17.373 flat angles C4'-P-C4' energy: -16.355 flat angles P-C4'-P energy: -10.996 tors. eta vs tors. theta energy: -15.580 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: 3, replica: 9 ===================================== Write number: 331 Temperature: 1.000000 Total energy: -211.621878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.621878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.621878 (E_RNA) where: Base-Base interactions energy: -142.501 where: short stacking energy: -64.010 Base-Backbone interact. energy: -0.008 local terms energy: -69.112902 where: bonds (distance) C4'-P energy: -14.796 bonds (distance) P-C4' energy: -13.707 flat angles C4'-P-C4' energy: -12.802 flat angles P-C4'-P energy: -7.974 tors. eta vs tors. theta energy: -19.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 331 Temperature: 1.050000 Total energy: -199.862002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.862002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.862002 (E_RNA) where: Base-Base interactions energy: -129.493 where: short stacking energy: -61.954 Base-Backbone interact. energy: -0.035 local terms energy: -70.333277 where: bonds (distance) C4'-P energy: -13.935 bonds (distance) P-C4' energy: -15.050 flat angles C4'-P-C4' energy: -13.969 flat angles P-C4'-P energy: -9.465 tors. eta vs tors. theta energy: -17.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 331 Temperature: 1.100000 Total energy: -198.616888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.616888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.616888 (E_RNA) where: Base-Base interactions energy: -135.490 where: short stacking energy: -61.620 Base-Backbone interact. energy: -0.004 local terms energy: -63.122457 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -11.522 flat angles C4'-P-C4' energy: -12.046 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -19.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 331 Temperature: 1.150000 Total energy: -169.814878 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.814878 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.814878 (E_RNA) where: Base-Base interactions energy: -116.975 where: short stacking energy: -49.937 Base-Backbone interact. energy: 1.405 local terms energy: -54.244856 where: bonds (distance) C4'-P energy: -12.490 bonds (distance) P-C4' energy: -11.682 flat angles C4'-P-C4' energy: -12.938 flat angles P-C4'-P energy: -7.260 tors. eta vs tors. theta energy: -9.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 331 Temperature: 1.200000 Total energy: -170.262981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.262981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.262981 (E_RNA) where: Base-Base interactions energy: -113.400 where: short stacking energy: -44.791 Base-Backbone interact. energy: 0.524 local terms energy: -57.386635 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -10.645 flat angles C4'-P-C4' energy: -11.448 flat angles P-C4'-P energy: -12.124 tors. eta vs tors. theta energy: -10.829 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: 331 Temperature: 1.250000 Total energy: -89.386262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.386262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.386262 (E_RNA) where: Base-Base interactions energy: -32.344 where: short stacking energy: -32.344 Base-Backbone interact. energy: -0.007 local terms energy: -57.034975 where: bonds (distance) C4'-P energy: -15.023 bonds (distance) P-C4' energy: -13.552 flat angles C4'-P-C4' energy: -12.944 flat angles P-C4'-P energy: -4.170 tors. eta vs tors. theta energy: -11.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 331 Temperature: 1.300000 Total energy: -74.572317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.572317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.572317 (E_RNA) where: Base-Base interactions energy: -33.665 where: short stacking energy: -33.665 Base-Backbone interact. energy: -0.014 local terms energy: -40.893588 where: bonds (distance) C4'-P energy: -9.892 bonds (distance) P-C4' energy: -10.176 flat angles C4'-P-C4' energy: -7.347 flat angles P-C4'-P energy: -8.265 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: 10, replica: 3 ===================================== Write number: 331 Temperature: 1.350000 Total energy: -80.677073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.677073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.677073 (E_RNA) where: Base-Base interactions energy: -33.574 where: short stacking energy: -29.015 Base-Backbone interact. energy: -0.068 local terms energy: -47.035398 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -9.988 flat angles C4'-P-C4' energy: -9.388 flat angles P-C4'-P energy: -6.562 tors. eta vs tors. theta energy: -7.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 332 Temperature: 0.900000 Total energy: -213.118004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.118004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.118004 (E_RNA) where: Base-Base interactions energy: -144.934 where: short stacking energy: -65.518 Base-Backbone interact. energy: -0.011 local terms energy: -68.173213 where: bonds (distance) C4'-P energy: -11.858 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -11.165 flat angles P-C4'-P energy: -9.447 tors. eta vs tors. theta energy: -20.333 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: 2, replica: 4 ===================================== Write number: 332 Temperature: 0.950000 Total energy: -198.830116 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.830116 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.830116 (E_RNA) where: Base-Base interactions energy: -130.491 where: short stacking energy: -62.521 Base-Backbone interact. energy: -0.280 local terms energy: -68.059380 where: bonds (distance) C4'-P energy: -11.770 bonds (distance) P-C4' energy: -16.128 flat angles C4'-P-C4' energy: -13.333 flat angles P-C4'-P energy: -8.850 tors. eta vs tors. theta energy: -17.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 332 Temperature: 1.000000 Total energy: -206.826010 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.826010 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.826010 (E_RNA) where: Base-Base interactions energy: -142.617 where: short stacking energy: -66.287 Base-Backbone interact. energy: -0.400 local terms energy: -63.808405 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -10.942 flat angles P-C4'-P energy: -7.048 tors. eta vs tors. theta energy: -17.784 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: 9 ===================================== Write number: 332 Temperature: 1.050000 Total energy: -200.427308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.427308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.427308 (E_RNA) where: Base-Base interactions energy: -129.818 where: short stacking energy: -61.777 Base-Backbone interact. energy: -0.017 local terms energy: -70.591863 where: bonds (distance) C4'-P energy: -14.007 bonds (distance) P-C4' energy: -13.845 flat angles C4'-P-C4' energy: -14.311 flat angles P-C4'-P energy: -9.293 tors. eta vs tors. theta energy: -19.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 332 Temperature: 1.100000 Total energy: -173.050424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.050424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.050424 (E_RNA) where: Base-Base interactions energy: -119.090 where: short stacking energy: -54.221 Base-Backbone interact. energy: -0.314 local terms energy: -53.646026 where: bonds (distance) C4'-P energy: -7.038 bonds (distance) P-C4' energy: -15.833 flat angles C4'-P-C4' energy: -10.992 flat angles P-C4'-P energy: -8.878 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: 6, replica: 5 ===================================== Write number: 332 Temperature: 1.150000 Total energy: -190.543370 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.543370 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.543370 (E_RNA) where: Base-Base interactions energy: -120.808 where: short stacking energy: -60.047 Base-Backbone interact. energy: -0.137 local terms energy: -69.598732 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -15.387 flat angles C4'-P-C4' energy: -14.485 flat angles P-C4'-P energy: -9.977 tors. eta vs tors. theta energy: -16.071 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 332 Temperature: 1.200000 Total energy: -179.679676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.679676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.679676 (E_RNA) where: Base-Base interactions energy: -122.055 where: short stacking energy: -58.194 Base-Backbone interact. energy: -0.246 local terms energy: -57.378064 where: bonds (distance) C4'-P energy: -13.042 bonds (distance) P-C4' energy: -6.057 flat angles C4'-P-C4' energy: -12.123 flat angles P-C4'-P energy: -9.876 tors. eta vs tors. theta energy: -16.280 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: 7 ===================================== Write number: 332 Temperature: 1.250000 Total energy: -84.192327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.192327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.192327 (E_RNA) where: Base-Base interactions energy: -39.322 where: short stacking energy: -24.149 Base-Backbone interact. energy: -0.044 local terms energy: -44.826553 where: bonds (distance) C4'-P energy: -11.682 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -13.434 flat angles P-C4'-P energy: -3.280 tors. eta vs tors. theta energy: -3.705 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 332 Temperature: 1.300000 Total energy: -72.375901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.375901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.375901 (E_RNA) where: Base-Base interactions energy: -29.960 where: short stacking energy: -26.174 Base-Backbone interact. energy: -0.189 local terms energy: -42.226922 where: bonds (distance) C4'-P energy: -13.771 bonds (distance) P-C4' energy: -11.714 flat angles C4'-P-C4' energy: -7.421 flat angles P-C4'-P energy: -7.592 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: 10, replica: 3 ===================================== Write number: 332 Temperature: 1.350000 Total energy: -71.350501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.350501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.350501 (E_RNA) where: Base-Base interactions energy: -25.822 where: short stacking energy: -19.407 Base-Backbone interact. energy: -0.038 local terms energy: -45.490759 where: bonds (distance) C4'-P energy: -9.137 bonds (distance) P-C4' energy: -14.877 flat angles C4'-P-C4' energy: -12.609 flat angles P-C4'-P energy: -7.451 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: 1, replica: 10 ===================================== Write number: 333 Temperature: 0.900000 Total energy: -213.742059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.742059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.742059 (E_RNA) where: Base-Base interactions energy: -139.971 where: short stacking energy: -63.830 Base-Backbone interact. energy: -0.057 local terms energy: -73.713685 where: bonds (distance) C4'-P energy: -12.899 bonds (distance) P-C4' energy: -15.333 flat angles C4'-P-C4' energy: -14.939 flat angles P-C4'-P energy: -13.368 tors. eta vs tors. theta energy: -17.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 333 Temperature: 0.950000 Total energy: -211.220342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.220342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.220342 (E_RNA) where: Base-Base interactions energy: -141.233 where: short stacking energy: -60.565 Base-Backbone interact. energy: -0.001 local terms energy: -69.985389 where: bonds (distance) C4'-P energy: -13.144 bonds (distance) P-C4' energy: -13.289 flat angles C4'-P-C4' energy: -12.137 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -20.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 333 Temperature: 1.000000 Total energy: -195.324695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.324695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.324695 (E_RNA) where: Base-Base interactions energy: -128.552 where: short stacking energy: -66.822 Base-Backbone interact. energy: -0.271 local terms energy: -66.501827 where: bonds (distance) C4'-P energy: -14.612 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -15.480 flat angles P-C4'-P energy: -9.849 tors. eta vs tors. theta energy: -12.452 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: 2 ===================================== Write number: 333 Temperature: 1.050000 Total energy: -196.311839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.311839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.311839 (E_RNA) where: Base-Base interactions energy: -127.511 where: short stacking energy: -63.021 Base-Backbone interact. energy: -0.005 local terms energy: -68.795849 where: bonds (distance) C4'-P energy: -11.684 bonds (distance) P-C4' energy: -10.979 flat angles C4'-P-C4' energy: -15.791 flat angles P-C4'-P energy: -10.673 tors. eta vs tors. theta energy: -19.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 333 Temperature: 1.100000 Total energy: -204.505642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.505642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.505642 (E_RNA) where: Base-Base interactions energy: -134.578 where: short stacking energy: -60.796 Base-Backbone interact. energy: -1.019 local terms energy: -68.909489 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -15.524 flat angles P-C4'-P energy: -10.063 tors. eta vs tors. theta energy: -17.513 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: 5 ===================================== Write number: 333 Temperature: 1.150000 Total energy: -184.749709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.749709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.749709 (E_RNA) where: Base-Base interactions energy: -119.375 where: short stacking energy: -59.909 Base-Backbone interact. energy: -0.003 local terms energy: -65.371442 where: bonds (distance) C4'-P energy: -11.047 bonds (distance) P-C4' energy: -13.119 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -8.712 tors. eta vs tors. theta energy: -18.924 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 333 Temperature: 1.200000 Total energy: -183.049285 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.049285 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.049285 (E_RNA) where: Base-Base interactions energy: -125.682 where: short stacking energy: -53.105 Base-Backbone interact. energy: -0.024 local terms energy: -57.343287 where: bonds (distance) C4'-P energy: -10.897 bonds (distance) P-C4' energy: -11.390 flat angles C4'-P-C4' energy: -13.604 flat angles P-C4'-P energy: -10.145 tors. eta vs tors. theta energy: -11.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 333 Temperature: 1.250000 Total energy: -97.830037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.830037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.830037 (E_RNA) where: Base-Base interactions energy: -39.179 where: short stacking energy: -39.179 Base-Backbone interact. energy: -0.037 local terms energy: -58.614096 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -16.129 flat angles C4'-P-C4' energy: -12.128 flat angles P-C4'-P energy: -7.492 tors. eta vs tors. theta energy: -8.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 333 Temperature: 1.300000 Total energy: -81.624463 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.624463 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.624463 (E_RNA) where: Base-Base interactions energy: -28.274 where: short stacking energy: -27.431 Base-Backbone interact. energy: -0.133 local terms energy: -53.217315 where: bonds (distance) C4'-P energy: -12.967 bonds (distance) P-C4' energy: -15.371 flat angles C4'-P-C4' energy: -10.316 flat angles P-C4'-P energy: -8.162 tors. eta vs tors. theta energy: -6.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 333 Temperature: 1.350000 Total energy: -70.578814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.578814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.578814 (E_RNA) where: Base-Base interactions energy: -25.605 where: short stacking energy: -22.490 Base-Backbone interact. energy: -1.229 local terms energy: -43.744530 where: bonds (distance) C4'-P energy: -11.158 bonds (distance) P-C4' energy: -16.309 flat angles C4'-P-C4' energy: -8.916 flat angles P-C4'-P energy: -8.335 tors. eta vs tors. theta energy: 0.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 334 Temperature: 0.900000 Total energy: -210.275097 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.275097 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.275097 (E_RNA) where: Base-Base interactions energy: -134.860 where: short stacking energy: -62.340 Base-Backbone interact. energy: -0.000 local terms energy: -75.415333 where: bonds (distance) C4'-P energy: -15.265 bonds (distance) P-C4' energy: -14.917 flat angles C4'-P-C4' energy: -13.459 flat angles P-C4'-P energy: -11.873 tors. eta vs tors. theta energy: -19.901 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 334 Temperature: 0.950000 Total energy: -205.128321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.128321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.128321 (E_RNA) where: Base-Base interactions energy: -139.013 where: short stacking energy: -62.770 Base-Backbone interact. energy: -0.012 local terms energy: -66.104117 where: bonds (distance) C4'-P energy: -11.916 bonds (distance) P-C4' energy: -16.153 flat angles C4'-P-C4' energy: -11.627 flat angles P-C4'-P energy: -7.927 tors. eta vs tors. theta energy: -18.481 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 334 Temperature: 1.000000 Total energy: -190.234388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.234388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.234388 (E_RNA) where: Base-Base interactions energy: -123.896 where: short stacking energy: -55.428 Base-Backbone interact. energy: -0.083 local terms energy: -66.255498 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -13.803 flat angles C4'-P-C4' energy: -14.832 flat angles P-C4'-P energy: -8.772 tors. eta vs tors. theta energy: -13.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 334 Temperature: 1.050000 Total energy: -200.192839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.192839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.192839 (E_RNA) where: Base-Base interactions energy: -135.004 where: short stacking energy: -66.089 Base-Backbone interact. energy: -0.532 local terms energy: -64.657715 where: bonds (distance) C4'-P energy: -11.817 bonds (distance) P-C4' energy: -13.881 flat angles C4'-P-C4' energy: -13.132 flat angles P-C4'-P energy: -7.743 tors. eta vs tors. theta energy: -18.085 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 334 Temperature: 1.100000 Total energy: -175.426862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.426862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.426862 (E_RNA) where: Base-Base interactions energy: -118.577 where: short stacking energy: -46.513 Base-Backbone interact. energy: -0.003 local terms energy: -56.847537 where: bonds (distance) C4'-P energy: -13.919 bonds (distance) P-C4' energy: -11.046 flat angles C4'-P-C4' energy: -13.548 flat angles P-C4'-P energy: -8.228 tors. eta vs tors. theta energy: -10.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 334 Temperature: 1.150000 Total energy: -172.506173 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.506173 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.506173 (E_RNA) where: Base-Base interactions energy: -109.539 where: short stacking energy: -46.962 Base-Backbone interact. energy: -0.045 local terms energy: -62.921475 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -13.467 flat angles C4'-P-C4' energy: -15.202 flat angles P-C4'-P energy: -10.249 tors. eta vs tors. theta energy: -10.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 334 Temperature: 1.200000 Total energy: -181.004576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.004576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.004576 (E_RNA) where: Base-Base interactions energy: -130.160 where: short stacking energy: -65.871 Base-Backbone interact. energy: -0.000 local terms energy: -50.844889 where: bonds (distance) C4'-P energy: -6.944 bonds (distance) P-C4' energy: -10.977 flat angles C4'-P-C4' energy: -12.538 flat angles P-C4'-P energy: -6.432 tors. eta vs tors. theta energy: -13.954 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: 8, replica: 8 ===================================== Write number: 334 Temperature: 1.250000 Total energy: -71.003324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.003324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.003324 (E_RNA) where: Base-Base interactions energy: -24.644 where: short stacking energy: -24.644 Base-Backbone interact. energy: -0.037 local terms energy: -46.322795 where: bonds (distance) C4'-P energy: -11.563 bonds (distance) P-C4' energy: -11.981 flat angles C4'-P-C4' energy: -11.496 flat angles P-C4'-P energy: -8.929 tors. eta vs tors. theta energy: -2.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 334 Temperature: 1.300000 Total energy: -74.443847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.443847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.443847 (E_RNA) where: Base-Base interactions energy: -24.949 where: short stacking energy: -22.584 Base-Backbone interact. energy: -0.195 local terms energy: -49.300184 where: bonds (distance) C4'-P energy: -13.678 bonds (distance) P-C4' energy: -15.822 flat angles C4'-P-C4' energy: -9.339 flat angles P-C4'-P energy: -9.081 tors. eta vs tors. theta energy: -1.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 334 Temperature: 1.350000 Total energy: -73.165068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.165068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.165068 (E_RNA) where: Base-Base interactions energy: -32.302 where: short stacking energy: -20.247 Base-Backbone interact. energy: -0.198 local terms energy: -40.664533 where: bonds (distance) C4'-P energy: -12.797 bonds (distance) P-C4' energy: -10.486 flat angles C4'-P-C4' energy: -12.770 flat angles P-C4'-P energy: -5.423 tors. eta vs tors. theta energy: 0.811 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 335 Temperature: 0.900000 Total energy: -209.452611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.452611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.452611 (E_RNA) where: Base-Base interactions energy: -135.297 where: short stacking energy: -69.349 Base-Backbone interact. energy: -0.015 local terms energy: -74.141054 where: bonds (distance) C4'-P energy: -13.952 bonds (distance) P-C4' energy: -13.189 flat angles C4'-P-C4' energy: -15.618 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -21.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 335 Temperature: 0.950000 Total energy: -204.276052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.276052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.276052 (E_RNA) where: Base-Base interactions energy: -132.201 where: short stacking energy: -55.399 Base-Backbone interact. energy: -0.008 local terms energy: -72.067404 where: bonds (distance) C4'-P energy: -14.069 bonds (distance) P-C4' energy: -15.716 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -13.324 tors. eta vs tors. theta energy: -14.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 335 Temperature: 1.000000 Total energy: -208.948822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.948822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.948822 (E_RNA) where: Base-Base interactions energy: -144.901 where: short stacking energy: -71.634 Base-Backbone interact. energy: -0.000 local terms energy: -64.047406 where: bonds (distance) C4'-P energy: -8.657 bonds (distance) P-C4' energy: -14.575 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -18.118 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: 335 Temperature: 1.050000 Total energy: -195.377625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.377625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.377625 (E_RNA) where: Base-Base interactions energy: -129.637 where: short stacking energy: -61.555 Base-Backbone interact. energy: -0.141 local terms energy: -65.599828 where: bonds (distance) C4'-P energy: -13.716 bonds (distance) P-C4' energy: -16.404 flat angles C4'-P-C4' energy: -15.109 flat angles P-C4'-P energy: -4.119 tors. eta vs tors. theta energy: -16.252 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: 9 ===================================== Write number: 335 Temperature: 1.100000 Total energy: -191.181388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.181388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.181388 (E_RNA) where: Base-Base interactions energy: -123.782 where: short stacking energy: -59.232 Base-Backbone interact. energy: -0.408 local terms energy: -66.990862 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -14.718 flat angles P-C4'-P energy: -12.704 tors. eta vs tors. theta energy: -13.312 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 335 Temperature: 1.150000 Total energy: -179.348867 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.348867 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.348867 (E_RNA) where: Base-Base interactions energy: -119.229 where: short stacking energy: -59.227 Base-Backbone interact. energy: -0.172 local terms energy: -59.948571 where: bonds (distance) C4'-P energy: -10.370 bonds (distance) P-C4' energy: -9.739 flat angles C4'-P-C4' energy: -12.787 flat angles P-C4'-P energy: -11.806 tors. eta vs tors. theta energy: -15.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 335 Temperature: 1.200000 Total energy: -185.369513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.369513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.369513 (E_RNA) where: Base-Base interactions energy: -124.988 where: short stacking energy: -65.397 Base-Backbone interact. energy: -0.577 local terms energy: -59.804115 where: bonds (distance) C4'-P energy: -9.338 bonds (distance) P-C4' energy: -14.309 flat angles C4'-P-C4' energy: -11.018 flat angles P-C4'-P energy: -7.143 tors. eta vs tors. theta energy: -17.996 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 335 Temperature: 1.250000 Total energy: -89.501456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.501456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.501456 (E_RNA) where: Base-Base interactions energy: -38.757 where: short stacking energy: -38.757 Base-Backbone interact. energy: -0.111 local terms energy: -50.633938 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -9.064 flat angles C4'-P-C4' energy: -10.260 flat angles P-C4'-P energy: -11.020 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: 9, replica: 8 ===================================== Write number: 335 Temperature: 1.300000 Total energy: -94.134375 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.134375 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.134375 (E_RNA) where: Base-Base interactions energy: -43.095 where: short stacking energy: -26.625 Base-Backbone interact. energy: -0.173 local terms energy: -50.866329 where: bonds (distance) C4'-P energy: -10.576 bonds (distance) P-C4' energy: -11.712 flat angles C4'-P-C4' energy: -13.144 flat angles P-C4'-P energy: -6.086 tors. eta vs tors. theta energy: -9.349 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 335 Temperature: 1.350000 Total energy: -83.662508 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.662508 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.662508 (E_RNA) where: Base-Base interactions energy: -36.564 where: short stacking energy: -36.564 Base-Backbone interact. energy: 0.172 local terms energy: -47.271138 where: bonds (distance) C4'-P energy: -11.070 bonds (distance) P-C4' energy: -12.015 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -3.837 tors. eta vs tors. theta energy: -9.129 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 336 Temperature: 0.900000 Total energy: -206.247130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.247130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.247130 (E_RNA) where: Base-Base interactions energy: -144.011 where: short stacking energy: -65.255 Base-Backbone interact. energy: -0.313 local terms energy: -61.922926 where: bonds (distance) C4'-P energy: -13.098 bonds (distance) P-C4' energy: -14.501 flat angles C4'-P-C4' energy: -11.109 flat angles P-C4'-P energy: -5.950 tors. eta vs tors. theta energy: -17.265 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 336 Temperature: 0.950000 Total energy: -198.468554 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.468554 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.468554 (E_RNA) where: Base-Base interactions energy: -130.653 where: short stacking energy: -67.999 Base-Backbone interact. energy: -0.061 local terms energy: -67.755150 where: bonds (distance) C4'-P energy: -8.628 bonds (distance) P-C4' energy: -15.283 flat angles C4'-P-C4' energy: -15.342 flat angles P-C4'-P energy: -11.608 tors. eta vs tors. theta energy: -16.894 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: 2 ===================================== Write number: 336 Temperature: 1.000000 Total energy: -204.540607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.540607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.540607 (E_RNA) where: Base-Base interactions energy: -135.374 where: short stacking energy: -64.424 Base-Backbone interact. energy: -0.175 local terms energy: -68.990775 where: bonds (distance) C4'-P energy: -13.698 bonds (distance) P-C4' energy: -12.475 flat angles C4'-P-C4' energy: -14.738 flat angles P-C4'-P energy: -9.937 tors. eta vs tors. theta energy: -18.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 336 Temperature: 1.050000 Total energy: -196.397509 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.397509 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.397509 (E_RNA) where: Base-Base interactions energy: -128.617 where: short stacking energy: -61.431 Base-Backbone interact. energy: -0.280 local terms energy: -67.500723 where: bonds (distance) C4'-P energy: -11.358 bonds (distance) P-C4' energy: -14.588 flat angles C4'-P-C4' energy: -12.860 flat angles P-C4'-P energy: -11.620 tors. eta vs tors. theta energy: -17.074 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 336 Temperature: 1.100000 Total energy: -195.259461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.259461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.259461 (E_RNA) where: Base-Base interactions energy: -128.274 where: short stacking energy: -59.477 Base-Backbone interact. energy: 0.350 local terms energy: -67.335974 where: bonds (distance) C4'-P energy: -12.320 bonds (distance) P-C4' energy: -10.599 flat angles C4'-P-C4' energy: -16.015 flat angles P-C4'-P energy: -10.982 tors. eta vs tors. theta energy: -17.420 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: 9 ===================================== Write number: 336 Temperature: 1.150000 Total energy: -187.868078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.868078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.868078 (E_RNA) where: Base-Base interactions energy: -123.693 where: short stacking energy: -57.163 Base-Backbone interact. energy: -0.023 local terms energy: -64.151599 where: bonds (distance) C4'-P energy: -8.510 bonds (distance) P-C4' energy: -16.181 flat angles C4'-P-C4' energy: -11.061 flat angles P-C4'-P energy: -11.721 tors. eta vs tors. theta energy: -16.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 336 Temperature: 1.200000 Total energy: -175.563000 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.563000 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.563000 (E_RNA) where: Base-Base interactions energy: -117.859 where: short stacking energy: -55.869 Base-Backbone interact. energy: -0.154 local terms energy: -57.549388 where: bonds (distance) C4'-P energy: -10.232 bonds (distance) P-C4' energy: -13.104 flat angles C4'-P-C4' energy: -9.652 flat angles P-C4'-P energy: -8.956 tors. eta vs tors. theta energy: -15.606 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: 3 ===================================== Write number: 336 Temperature: 1.250000 Total energy: -87.245900 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.245900 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.245900 (E_RNA) where: Base-Base interactions energy: -30.460 where: short stacking energy: -25.861 Base-Backbone interact. energy: -0.003 local terms energy: -56.782765 where: bonds (distance) C4'-P energy: -11.556 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -14.294 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -6.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 336 Temperature: 1.300000 Total energy: -71.084058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.084058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.084058 (E_RNA) where: Base-Base interactions energy: -19.732 where: short stacking energy: -19.732 Base-Backbone interact. energy: -0.309 local terms energy: -51.042558 where: bonds (distance) C4'-P energy: -13.087 bonds (distance) P-C4' energy: -15.702 flat angles C4'-P-C4' energy: -9.842 flat angles P-C4'-P energy: -12.015 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: 10, replica: 8 ===================================== Write number: 336 Temperature: 1.350000 Total energy: -81.807918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.807918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.807918 (E_RNA) where: Base-Base interactions energy: -37.033 where: short stacking energy: -22.821 Base-Backbone interact. energy: -0.064 local terms energy: -44.711067 where: bonds (distance) C4'-P energy: -12.619 bonds (distance) P-C4' energy: -11.608 flat angles C4'-P-C4' energy: -11.944 flat angles P-C4'-P energy: -6.681 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: 10 ===================================== Write number: 337 Temperature: 0.900000 Total energy: -218.462378 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.462378 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.462378 (E_RNA) where: Base-Base interactions energy: -147.874 where: short stacking energy: -68.536 Base-Backbone interact. energy: 0.857 local terms energy: -71.445503 where: bonds (distance) C4'-P energy: -13.119 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -15.078 flat angles P-C4'-P energy: -9.808 tors. eta vs tors. theta energy: -19.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 337 Temperature: 0.950000 Total energy: -208.809939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.809939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.809939 (E_RNA) where: Base-Base interactions energy: -141.573 where: short stacking energy: -71.035 Base-Backbone interact. energy: -0.025 local terms energy: -67.211257 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -15.227 flat angles C4'-P-C4' energy: -11.798 flat angles P-C4'-P energy: -8.484 tors. eta vs tors. theta energy: -18.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 337 Temperature: 1.000000 Total energy: -204.628227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.628227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.628227 (E_RNA) where: Base-Base interactions energy: -134.445 where: short stacking energy: -64.241 Base-Backbone interact. energy: -0.000 local terms energy: -70.182663 where: bonds (distance) C4'-P energy: -14.622 bonds (distance) P-C4' energy: -12.104 flat angles C4'-P-C4' energy: -13.582 flat angles P-C4'-P energy: -13.403 tors. eta vs tors. theta energy: -16.472 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: 1 ===================================== Write number: 337 Temperature: 1.050000 Total energy: -196.129596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.129596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.129596 (E_RNA) where: Base-Base interactions energy: -126.977 where: short stacking energy: -56.865 Base-Backbone interact. energy: 0.461 local terms energy: -69.613035 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -16.048 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -11.445 tors. eta vs tors. theta energy: -16.374 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 337 Temperature: 1.100000 Total energy: -190.360161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.360161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.360161 (E_RNA) where: Base-Base interactions energy: -123.805 where: short stacking energy: -58.524 Base-Backbone interact. energy: -0.002 local terms energy: -66.553425 where: bonds (distance) C4'-P energy: -9.655 bonds (distance) P-C4' energy: -13.927 flat angles C4'-P-C4' energy: -14.090 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -19.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 337 Temperature: 1.150000 Total energy: -186.108746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.108746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.108746 (E_RNA) where: Base-Base interactions energy: -124.519 where: short stacking energy: -51.781 Base-Backbone interact. energy: -0.024 local terms energy: -61.565829 where: bonds (distance) C4'-P energy: -10.636 bonds (distance) P-C4' energy: -11.902 flat angles C4'-P-C4' energy: -15.115 flat angles P-C4'-P energy: -10.867 tors. eta vs tors. theta energy: -13.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 337 Temperature: 1.200000 Total energy: -162.426985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.426985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.426985 (E_RNA) where: Base-Base interactions energy: -108.275 where: short stacking energy: -49.513 Base-Backbone interact. energy: -0.079 local terms energy: -54.073441 where: bonds (distance) C4'-P energy: -11.293 bonds (distance) P-C4' energy: -12.116 flat angles C4'-P-C4' energy: -11.197 flat angles P-C4'-P energy: -8.941 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: 8, replica: 7 ===================================== Write number: 337 Temperature: 1.250000 Total energy: -76.987572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.987572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.987572 (E_RNA) where: Base-Base interactions energy: -30.701 where: short stacking energy: -24.927 Base-Backbone interact. energy: -0.261 local terms energy: -46.025277 where: bonds (distance) C4'-P energy: -12.597 bonds (distance) P-C4' energy: -14.469 flat angles C4'-P-C4' energy: -11.257 flat angles P-C4'-P energy: -7.298 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: 9, replica: 3 ===================================== Write number: 337 Temperature: 1.300000 Total energy: -73.819358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.819358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.819358 (E_RNA) where: Base-Base interactions energy: -31.951 where: short stacking energy: -31.684 Base-Backbone interact. energy: -0.059 local terms energy: -41.809073 where: bonds (distance) C4'-P energy: -12.591 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -7.906 flat angles P-C4'-P energy: -5.949 tors. eta vs tors. theta energy: -1.901 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: 10, replica: 8 ===================================== Write number: 337 Temperature: 1.350000 Total energy: -76.516755 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.516755 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.516755 (E_RNA) where: Base-Base interactions energy: -24.168 where: short stacking energy: -24.168 Base-Backbone interact. energy: -0.070 local terms energy: -52.278072 where: bonds (distance) C4'-P energy: -10.897 bonds (distance) P-C4' energy: -13.213 flat angles C4'-P-C4' energy: -9.172 flat angles P-C4'-P energy: -10.165 tors. eta vs tors. theta energy: -8.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 338 Temperature: 0.900000 Total energy: -210.364779 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.364779 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.364779 (E_RNA) where: Base-Base interactions energy: -137.550 where: short stacking energy: -61.667 Base-Backbone interact. energy: -0.284 local terms energy: -72.531327 where: bonds (distance) C4'-P energy: -14.969 bonds (distance) P-C4' energy: -13.222 flat angles C4'-P-C4' energy: -15.609 flat angles P-C4'-P energy: -9.266 tors. eta vs tors. theta energy: -19.465 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: 10 ===================================== Write number: 338 Temperature: 0.950000 Total energy: -208.678350 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.678350 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.678350 (E_RNA) where: Base-Base interactions energy: -135.050 where: short stacking energy: -61.773 Base-Backbone interact. energy: -0.007 local terms energy: -73.621125 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -15.537 flat angles C4'-P-C4' energy: -14.146 flat angles P-C4'-P energy: -10.893 tors. eta vs tors. theta energy: -19.652 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: 1 ===================================== Write number: 338 Temperature: 1.000000 Total energy: -212.212231 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.212231 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.212231 (E_RNA) where: Base-Base interactions energy: -146.551 where: short stacking energy: -68.328 Base-Backbone interact. energy: -0.015 local terms energy: -65.646303 where: bonds (distance) C4'-P energy: -8.584 bonds (distance) P-C4' energy: -14.134 flat angles C4'-P-C4' energy: -13.160 flat angles P-C4'-P energy: -12.881 tors. eta vs tors. theta energy: -16.887 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 338 Temperature: 1.050000 Total energy: -205.719846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.719846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.719846 (E_RNA) where: Base-Base interactions energy: -136.195 where: short stacking energy: -64.157 Base-Backbone interact. energy: 0.237 local terms energy: -69.762475 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -13.951 flat angles C4'-P-C4' energy: -16.384 flat angles P-C4'-P energy: -11.846 tors. eta vs tors. theta energy: -17.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 338 Temperature: 1.100000 Total energy: -185.113617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.113617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.113617 (E_RNA) where: Base-Base interactions energy: -129.443 where: short stacking energy: -54.168 Base-Backbone interact. energy: 1.368 local terms energy: -57.039194 where: bonds (distance) C4'-P energy: -10.873 bonds (distance) P-C4' energy: -12.289 flat angles C4'-P-C4' energy: -11.665 flat angles P-C4'-P energy: -6.089 tors. eta vs tors. theta energy: -16.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 338 Temperature: 1.150000 Total energy: -181.332955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.332955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.332955 (E_RNA) where: Base-Base interactions energy: -122.583 where: short stacking energy: -57.468 Base-Backbone interact. energy: -0.029 local terms energy: -58.720593 where: bonds (distance) C4'-P energy: -13.216 bonds (distance) P-C4' energy: -6.768 flat angles C4'-P-C4' energy: -14.149 flat angles P-C4'-P energy: -6.021 tors. eta vs tors. theta energy: -18.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 338 Temperature: 1.200000 Total energy: -172.678741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.678741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.678741 (E_RNA) where: Base-Base interactions energy: -111.753 where: short stacking energy: -51.558 Base-Backbone interact. energy: -0.240 local terms energy: -60.685364 where: bonds (distance) C4'-P energy: -11.666 bonds (distance) P-C4' energy: -14.109 flat angles C4'-P-C4' energy: -12.346 flat angles P-C4'-P energy: -8.482 tors. eta vs tors. theta energy: -14.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 338 Temperature: 1.250000 Total energy: -82.526904 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.526904 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.526904 (E_RNA) where: Base-Base interactions energy: -31.925 where: short stacking energy: -31.547 Base-Backbone interact. energy: -0.003 local terms energy: -50.599516 where: bonds (distance) C4'-P energy: -12.996 bonds (distance) P-C4' energy: -11.827 flat angles C4'-P-C4' energy: -10.885 flat angles P-C4'-P energy: -7.315 tors. eta vs tors. theta energy: -7.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 338 Temperature: 1.300000 Total energy: -70.104732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.104732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.104732 (E_RNA) where: Base-Base interactions energy: -24.667 where: short stacking energy: -21.736 Base-Backbone interact. energy: -0.041 local terms energy: -45.396850 where: bonds (distance) C4'-P energy: -13.430 bonds (distance) P-C4' energy: -12.713 flat angles C4'-P-C4' energy: -12.617 flat angles P-C4'-P energy: -4.149 tors. eta vs tors. theta energy: -2.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 338 Temperature: 1.350000 Total energy: -76.056068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.056068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.056068 (E_RNA) where: Base-Base interactions energy: -32.890 where: short stacking energy: -30.936 Base-Backbone interact. energy: -0.611 local terms energy: -42.554263 where: bonds (distance) C4'-P energy: -9.410 bonds (distance) P-C4' energy: -10.116 flat angles C4'-P-C4' energy: -12.342 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -1.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 339 Temperature: 0.900000 Total energy: -213.769100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.769100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.769100 (E_RNA) where: Base-Base interactions energy: -140.668 where: short stacking energy: -61.288 Base-Backbone interact. energy: -0.009 local terms energy: -73.092187 where: bonds (distance) C4'-P energy: -14.566 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -16.380 flat angles P-C4'-P energy: -10.753 tors. eta vs tors. theta energy: -16.763 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: 1 ===================================== Write number: 339 Temperature: 0.950000 Total energy: -214.124278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.124278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.124278 (E_RNA) where: Base-Base interactions energy: -142.204 where: short stacking energy: -62.173 Base-Backbone interact. energy: -0.001 local terms energy: -71.919375 where: bonds (distance) C4'-P energy: -13.964 bonds (distance) P-C4' energy: -13.557 flat angles C4'-P-C4' energy: -14.479 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -18.827 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 339 Temperature: 1.000000 Total energy: -197.426705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.426705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.426705 (E_RNA) where: Base-Base interactions energy: -134.585 where: short stacking energy: -58.043 Base-Backbone interact. energy: -0.280 local terms energy: -62.561699 where: bonds (distance) C4'-P energy: -11.912 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -13.111 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -18.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 339 Temperature: 1.050000 Total energy: -194.856572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.856572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.856572 (E_RNA) where: Base-Base interactions energy: -124.986 where: short stacking energy: -58.981 Base-Backbone interact. energy: -0.000 local terms energy: -69.870860 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -12.583 flat angles C4'-P-C4' energy: -14.306 flat angles P-C4'-P energy: -12.867 tors. eta vs tors. theta energy: -17.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 339 Temperature: 1.100000 Total energy: -189.761488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.761488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.761488 (E_RNA) where: Base-Base interactions energy: -128.582 where: short stacking energy: -59.945 Base-Backbone interact. energy: -0.034 local terms energy: -61.145784 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -9.611 flat angles P-C4'-P energy: -12.533 tors. eta vs tors. theta energy: -11.609 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: 4 ===================================== Write number: 339 Temperature: 1.150000 Total energy: -180.516155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.516155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.516155 (E_RNA) where: Base-Base interactions energy: -113.819 where: short stacking energy: -55.074 Base-Backbone interact. energy: -0.047 local terms energy: -66.649895 where: bonds (distance) C4'-P energy: -8.537 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -16.107 flat angles P-C4'-P energy: -10.983 tors. eta vs tors. theta energy: -17.089 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: 339 Temperature: 1.200000 Total energy: -178.999651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.999651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.999651 (E_RNA) where: Base-Base interactions energy: -117.994 where: short stacking energy: -45.501 Base-Backbone interact. energy: -0.037 local terms energy: -60.968804 where: bonds (distance) C4'-P energy: -10.334 bonds (distance) P-C4' energy: -10.570 flat angles C4'-P-C4' energy: -14.807 flat angles P-C4'-P energy: -11.032 tors. eta vs tors. theta energy: -14.226 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: 8, replica: 8 ===================================== Write number: 339 Temperature: 1.250000 Total energy: -86.284187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.284187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.284187 (E_RNA) where: Base-Base interactions energy: -33.378 where: short stacking energy: -33.378 Base-Backbone interact. energy: -0.084 local terms energy: -52.821658 where: bonds (distance) C4'-P energy: -10.445 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -12.973 flat angles P-C4'-P energy: -9.549 tors. eta vs tors. theta energy: -6.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 339 Temperature: 1.300000 Total energy: -86.807125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.807125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.807125 (E_RNA) where: Base-Base interactions energy: -41.753 where: short stacking energy: -21.946 Base-Backbone interact. energy: -0.136 local terms energy: -44.918751 where: bonds (distance) C4'-P energy: -8.052 bonds (distance) P-C4' energy: -15.631 flat angles C4'-P-C4' energy: -14.084 flat angles P-C4'-P energy: -7.092 tors. eta vs tors. theta energy: -0.060 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 339 Temperature: 1.350000 Total energy: -78.211400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.211400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.211400 (E_RNA) where: Base-Base interactions energy: -34.239 where: short stacking energy: -34.239 Base-Backbone interact. energy: 1.142 local terms energy: -45.114358 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -9.109 flat angles C4'-P-C4' energy: -8.096 flat angles P-C4'-P energy: -8.513 tors. eta vs tors. theta energy: -8.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 340 Temperature: 0.900000 Total energy: -214.873733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.873733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.873733 (E_RNA) where: Base-Base interactions energy: -139.887 where: short stacking energy: -64.284 Base-Backbone interact. energy: -0.226 local terms energy: -74.760772 where: bonds (distance) C4'-P energy: -14.498 bonds (distance) P-C4' energy: -15.190 flat angles C4'-P-C4' energy: -14.729 flat angles P-C4'-P energy: -10.162 tors. eta vs tors. theta energy: -20.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 340 Temperature: 0.950000 Total energy: -204.061053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.061053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.061053 (E_RNA) where: Base-Base interactions energy: -137.360 where: short stacking energy: -64.340 Base-Backbone interact. energy: -0.001 local terms energy: -66.700465 where: bonds (distance) C4'-P energy: -10.802 bonds (distance) P-C4' energy: -14.810 flat angles C4'-P-C4' energy: -15.512 flat angles P-C4'-P energy: -7.815 tors. eta vs tors. theta energy: -17.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 340 Temperature: 1.000000 Total energy: -199.070400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.070400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.070400 (E_RNA) where: Base-Base interactions energy: -129.500 where: short stacking energy: -56.116 Base-Backbone interact. energy: -0.036 local terms energy: -69.534351 where: bonds (distance) C4'-P energy: -13.559 bonds (distance) P-C4' energy: -16.104 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -9.347 tors. eta vs tors. theta energy: -15.831 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: 4, replica: 6 ===================================== Write number: 340 Temperature: 1.050000 Total energy: -208.752242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.752242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.752242 (E_RNA) where: Base-Base interactions energy: -142.231 where: short stacking energy: -68.391 Base-Backbone interact. energy: -0.001 local terms energy: -66.520285 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -10.994 flat angles C4'-P-C4' energy: -15.048 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -18.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 340 Temperature: 1.100000 Total energy: -195.747123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.747123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.747123 (E_RNA) where: Base-Base interactions energy: -134.229 where: short stacking energy: -61.776 Base-Backbone interact. energy: -0.110 local terms energy: -61.407519 where: bonds (distance) C4'-P energy: -13.878 bonds (distance) P-C4' energy: -9.550 flat angles C4'-P-C4' energy: -9.826 flat angles P-C4'-P energy: -11.460 tors. eta vs tors. theta energy: -16.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 340 Temperature: 1.150000 Total energy: -167.347729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.347729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.347729 (E_RNA) where: Base-Base interactions energy: -105.435 where: short stacking energy: -51.853 Base-Backbone interact. energy: -0.805 local terms energy: -61.107839 where: bonds (distance) C4'-P energy: -9.940 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -14.613 flat angles P-C4'-P energy: -10.416 tors. eta vs tors. theta energy: -10.906 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 340 Temperature: 1.200000 Total energy: -188.029106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.029106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.029106 (E_RNA) where: Base-Base interactions energy: -124.360 where: short stacking energy: -58.092 Base-Backbone interact. energy: -0.559 local terms energy: -63.110008 where: bonds (distance) C4'-P energy: -14.702 bonds (distance) P-C4' energy: -13.913 flat angles C4'-P-C4' energy: -10.068 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -14.769 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: 8 ===================================== Write number: 340 Temperature: 1.250000 Total energy: -75.867594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.867594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.867594 (E_RNA) where: Base-Base interactions energy: -24.329 where: short stacking energy: -24.232 Base-Backbone interact. energy: -0.126 local terms energy: -51.412885 where: bonds (distance) C4'-P energy: -12.343 bonds (distance) P-C4' energy: -13.233 flat angles C4'-P-C4' energy: -13.171 flat angles P-C4'-P energy: -9.250 tors. eta vs tors. theta energy: -3.416 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 340 Temperature: 1.300000 Total energy: -73.294497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.294497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.294497 (E_RNA) where: Base-Base interactions energy: -36.042 where: short stacking energy: -22.261 Base-Backbone interact. energy: 0.041 local terms energy: -37.293447 where: bonds (distance) C4'-P energy: -6.801 bonds (distance) P-C4' energy: -11.852 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: 0.731 tors. eta vs tors. theta energy: -6.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 340 Temperature: 1.350000 Total energy: -76.702223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.702223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.702223 (E_RNA) where: Base-Base interactions energy: -31.186 where: short stacking energy: -27.640 Base-Backbone interact. energy: -0.713 local terms energy: -44.802975 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -13.500 flat angles C4'-P-C4' energy: -12.509 flat angles P-C4'-P energy: -2.581 tors. eta vs tors. theta energy: -3.435 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 341 Temperature: 0.900000 Total energy: -211.354553 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.354553 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.354553 (E_RNA) where: Base-Base interactions energy: -144.542 where: short stacking energy: -65.326 Base-Backbone interact. energy: -0.004 local terms energy: -66.808379 where: bonds (distance) C4'-P energy: -12.670 bonds (distance) P-C4' energy: -12.531 flat angles C4'-P-C4' energy: -13.437 flat angles P-C4'-P energy: -8.418 tors. eta vs tors. theta energy: -19.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 341 Temperature: 0.950000 Total energy: -206.981602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.981602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.981602 (E_RNA) where: Base-Base interactions energy: -136.480 where: short stacking energy: -68.713 Base-Backbone interact. energy: -0.002 local terms energy: -70.499537 where: bonds (distance) C4'-P energy: -11.704 bonds (distance) P-C4' energy: -15.087 flat angles C4'-P-C4' energy: -14.550 flat angles P-C4'-P energy: -9.896 tors. eta vs tors. theta energy: -19.263 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: 3, replica: 10 ===================================== Write number: 341 Temperature: 1.000000 Total energy: -204.184601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.184601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.184601 (E_RNA) where: Base-Base interactions energy: -132.264 where: short stacking energy: -65.709 Base-Backbone interact. energy: -0.630 local terms energy: -71.290173 where: bonds (distance) C4'-P energy: -13.219 bonds (distance) P-C4' energy: -16.389 flat angles C4'-P-C4' energy: -15.578 flat angles P-C4'-P energy: -8.927 tors. eta vs tors. theta energy: -17.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 341 Temperature: 1.050000 Total energy: -201.175191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.175191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.175191 (E_RNA) where: Base-Base interactions energy: -139.256 where: short stacking energy: -63.500 Base-Backbone interact. energy: -0.043 local terms energy: -61.875968 where: bonds (distance) C4'-P energy: -12.874 bonds (distance) P-C4' energy: -7.919 flat angles C4'-P-C4' energy: -15.986 flat angles P-C4'-P energy: -9.352 tors. eta vs tors. theta energy: -15.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 341 Temperature: 1.100000 Total energy: -191.534481 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.534481 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.534481 (E_RNA) where: Base-Base interactions energy: -129.228 where: short stacking energy: -53.687 Base-Backbone interact. energy: -0.072 local terms energy: -62.233910 where: bonds (distance) C4'-P energy: -15.770 bonds (distance) P-C4' energy: -13.064 flat angles C4'-P-C4' energy: -10.428 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -12.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 341 Temperature: 1.150000 Total energy: -192.356734 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.356734 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.356734 (E_RNA) where: Base-Base interactions energy: -126.069 where: short stacking energy: -59.211 Base-Backbone interact. energy: -0.124 local terms energy: -66.163370 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -13.762 flat angles C4'-P-C4' energy: -11.274 flat angles P-C4'-P energy: -10.675 tors. eta vs tors. theta energy: -17.635 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: 7, replica: 4 ===================================== Write number: 341 Temperature: 1.200000 Total energy: -163.062825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.062825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.062825 (E_RNA) where: Base-Base interactions energy: -107.517 where: short stacking energy: -35.521 Base-Backbone interact. energy: -0.245 local terms energy: -55.301357 where: bonds (distance) C4'-P energy: -10.723 bonds (distance) P-C4' energy: -13.560 flat angles C4'-P-C4' energy: -13.321 flat angles P-C4'-P energy: -12.279 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: 8, replica: 7 ===================================== Write number: 341 Temperature: 1.250000 Total energy: -71.247636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.247636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.247636 (E_RNA) where: Base-Base interactions energy: -21.054 where: short stacking energy: -19.058 Base-Backbone interact. energy: -1.055 local terms energy: -49.138528 where: bonds (distance) C4'-P energy: -13.894 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -8.547 flat angles P-C4'-P energy: -10.698 tors. eta vs tors. theta energy: -0.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 341 Temperature: 1.300000 Total energy: -71.871782 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.871782 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.871782 (E_RNA) where: Base-Base interactions energy: -30.116 where: short stacking energy: -24.001 Base-Backbone interact. energy: -0.024 local terms energy: -41.732209 where: bonds (distance) C4'-P energy: -13.393 bonds (distance) P-C4' energy: -10.963 flat angles C4'-P-C4' energy: -8.698 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -1.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 341 Temperature: 1.350000 Total energy: -76.391681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.391681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.391681 (E_RNA) where: Base-Base interactions energy: -32.022 where: short stacking energy: -31.857 Base-Backbone interact. energy: -0.066 local terms energy: -44.304150 where: bonds (distance) C4'-P energy: -11.046 bonds (distance) P-C4' energy: -13.268 flat angles C4'-P-C4' energy: -9.484 flat angles P-C4'-P energy: -7.022 tors. eta vs tors. theta energy: -3.484 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 342 Temperature: 0.900000 Total energy: -211.791600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.791600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.791600 (E_RNA) where: Base-Base interactions energy: -139.697 where: short stacking energy: -65.269 Base-Backbone interact. energy: -0.010 local terms energy: -72.084294 where: bonds (distance) C4'-P energy: -14.060 bonds (distance) P-C4' energy: -12.805 flat angles C4'-P-C4' energy: -15.347 flat angles P-C4'-P energy: -11.453 tors. eta vs tors. theta energy: -18.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 342 Temperature: 0.950000 Total energy: -210.167686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.167686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.167686 (E_RNA) where: Base-Base interactions energy: -135.415 where: short stacking energy: -68.503 Base-Backbone interact. energy: 0.030 local terms energy: -74.783448 where: bonds (distance) C4'-P energy: -15.447 bonds (distance) P-C4' energy: -13.712 flat angles C4'-P-C4' energy: -14.711 flat angles P-C4'-P energy: -12.944 tors. eta vs tors. theta energy: -17.970 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: 5 ===================================== Write number: 342 Temperature: 1.000000 Total energy: -199.511603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.511603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.511603 (E_RNA) where: Base-Base interactions energy: -132.437 where: short stacking energy: -61.491 Base-Backbone interact. energy: 0.970 local terms energy: -68.043864 where: bonds (distance) C4'-P energy: -10.271 bonds (distance) P-C4' energy: -13.747 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -17.426 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 342 Temperature: 1.050000 Total energy: -184.459670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.459670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.459670 (E_RNA) where: Base-Base interactions energy: -115.685 where: short stacking energy: -50.884 Base-Backbone interact. energy: -0.605 local terms energy: -68.170128 where: bonds (distance) C4'-P energy: -12.896 bonds (distance) P-C4' energy: -14.014 flat angles C4'-P-C4' energy: -15.650 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -14.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 342 Temperature: 1.100000 Total energy: -193.306080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.306080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.306080 (E_RNA) where: Base-Base interactions energy: -124.143 where: short stacking energy: -62.665 Base-Backbone interact. energy: 0.063 local terms energy: -69.226241 where: bonds (distance) C4'-P energy: -9.340 bonds (distance) P-C4' energy: -15.386 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -8.979 tors. eta vs tors. theta energy: -20.867 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: 9 ===================================== Write number: 342 Temperature: 1.150000 Total energy: -179.169259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.169259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.169259 (E_RNA) where: Base-Base interactions energy: -116.966 where: short stacking energy: -52.199 Base-Backbone interact. energy: -1.157 local terms energy: -61.045692 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -16.206 flat angles C4'-P-C4' energy: -12.392 flat angles P-C4'-P energy: -9.195 tors. eta vs tors. theta energy: -10.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 342 Temperature: 1.200000 Total energy: -173.244238 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.244238 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.244238 (E_RNA) where: Base-Base interactions energy: -113.503 where: short stacking energy: -52.018 Base-Backbone interact. energy: -0.028 local terms energy: -59.713174 where: bonds (distance) C4'-P energy: -11.219 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -9.733 flat angles P-C4'-P energy: -10.317 tors. eta vs tors. theta energy: -15.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 342 Temperature: 1.250000 Total energy: -87.200193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.200193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.200193 (E_RNA) where: Base-Base interactions energy: -32.417 where: short stacking energy: -32.417 Base-Backbone interact. energy: -0.074 local terms energy: -54.709183 where: bonds (distance) C4'-P energy: -11.482 bonds (distance) P-C4' energy: -15.541 flat angles C4'-P-C4' energy: -11.617 flat angles P-C4'-P energy: -9.254 tors. eta vs tors. theta energy: -6.816 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: 8 ===================================== Write number: 342 Temperature: 1.300000 Total energy: -78.877419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.877419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.877419 (E_RNA) where: Base-Base interactions energy: -40.304 where: short stacking energy: -23.846 Base-Backbone interact. energy: -0.277 local terms energy: -38.296674 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -8.472 flat angles C4'-P-C4' energy: -10.538 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -0.652 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 342 Temperature: 1.350000 Total energy: -84.257133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.257133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.257133 (E_RNA) where: Base-Base interactions energy: -29.618 where: short stacking energy: -29.618 Base-Backbone interact. energy: -1.249 local terms energy: -53.390190 where: bonds (distance) C4'-P energy: -11.676 bonds (distance) P-C4' energy: -15.473 flat angles C4'-P-C4' energy: -11.420 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -5.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 343 Temperature: 0.900000 Total energy: -206.921479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.921479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.921479 (E_RNA) where: Base-Base interactions energy: -139.903 where: short stacking energy: -59.168 Base-Backbone interact. energy: -0.048 local terms energy: -66.970807 where: bonds (distance) C4'-P energy: -15.518 bonds (distance) P-C4' energy: -14.414 flat angles C4'-P-C4' energy: -10.786 flat angles P-C4'-P energy: -10.049 tors. eta vs tors. theta energy: -16.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 343 Temperature: 0.950000 Total energy: -202.832713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.832713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.832713 (E_RNA) where: Base-Base interactions energy: -135.217 where: short stacking energy: -69.703 Base-Backbone interact. energy: -0.000 local terms energy: -67.615214 where: bonds (distance) C4'-P energy: -13.067 bonds (distance) P-C4' energy: -12.703 flat angles C4'-P-C4' energy: -14.668 flat angles P-C4'-P energy: -9.927 tors. eta vs tors. theta energy: -17.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 343 Temperature: 1.000000 Total energy: -196.548058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.548058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.548058 (E_RNA) where: Base-Base interactions energy: -127.471 where: short stacking energy: -57.224 Base-Backbone interact. energy: -0.003 local terms energy: -69.074327 where: bonds (distance) C4'-P energy: -15.679 bonds (distance) P-C4' energy: -13.832 flat angles C4'-P-C4' energy: -12.575 flat angles P-C4'-P energy: -8.900 tors. eta vs tors. theta energy: -18.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 343 Temperature: 1.050000 Total energy: -181.991725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.991725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.991725 (E_RNA) where: Base-Base interactions energy: -122.321 where: short stacking energy: -51.245 Base-Backbone interact. energy: -0.231 local terms energy: -59.439877 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -8.376 flat angles C4'-P-C4' energy: -9.706 flat angles P-C4'-P energy: -12.887 tors. eta vs tors. theta energy: -14.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 343 Temperature: 1.100000 Total energy: -194.283272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.283272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.283272 (E_RNA) where: Base-Base interactions energy: -127.210 where: short stacking energy: -62.100 Base-Backbone interact. energy: -0.000 local terms energy: -67.072501 where: bonds (distance) C4'-P energy: -11.029 bonds (distance) P-C4' energy: -12.763 flat angles C4'-P-C4' energy: -15.081 flat angles P-C4'-P energy: -10.321 tors. eta vs tors. theta energy: -17.878 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: 6, replica: 4 ===================================== Write number: 343 Temperature: 1.150000 Total energy: -182.386732 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.386732 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.386732 (E_RNA) where: Base-Base interactions energy: -120.647 where: short stacking energy: -48.011 Base-Backbone interact. energy: -0.108 local terms energy: -61.631327 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -14.504 flat angles C4'-P-C4' energy: -13.713 flat angles P-C4'-P energy: -8.085 tors. eta vs tors. theta energy: -12.876 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 343 Temperature: 1.200000 Total energy: -178.180919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.180919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.180919 (E_RNA) where: Base-Base interactions energy: -121.733 where: short stacking energy: -56.920 Base-Backbone interact. energy: -0.001 local terms energy: -56.447020 where: bonds (distance) C4'-P energy: -14.577 bonds (distance) P-C4' energy: -8.770 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -6.312 tors. eta vs tors. theta energy: -15.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 343 Temperature: 1.250000 Total energy: -82.106526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.106526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.106526 (E_RNA) where: Base-Base interactions energy: -37.202 where: short stacking energy: -37.202 Base-Backbone interact. energy: -0.158 local terms energy: -44.747168 where: bonds (distance) C4'-P energy: -12.802 bonds (distance) P-C4' energy: -12.620 flat angles C4'-P-C4' energy: -4.152 flat angles P-C4'-P energy: -7.450 tors. eta vs tors. theta energy: -7.724 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 343 Temperature: 1.300000 Total energy: -75.755135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.755135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.755135 (E_RNA) where: Base-Base interactions energy: -29.867 where: short stacking energy: -28.676 Base-Backbone interact. energy: 0.335 local terms energy: -46.222729 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -10.056 flat angles C4'-P-C4' energy: -9.161 flat angles P-C4'-P energy: -5.686 tors. eta vs tors. theta energy: -8.411 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 343 Temperature: 1.350000 Total energy: -76.158696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.158696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.158696 (E_RNA) where: Base-Base interactions energy: -33.051 where: short stacking energy: -29.231 Base-Backbone interact. energy: -0.324 local terms energy: -42.783840 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -12.749 flat angles C4'-P-C4' energy: -5.696 flat angles P-C4'-P energy: -8.174 tors. eta vs tors. theta energy: -1.766 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 344 Temperature: 0.900000 Total energy: -212.311092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.311092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.311092 (E_RNA) where: Base-Base interactions energy: -136.748 where: short stacking energy: -63.466 Base-Backbone interact. energy: -0.003 local terms energy: -75.560360 where: bonds (distance) C4'-P energy: -15.351 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -11.364 tors. eta vs tors. theta energy: -16.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 344 Temperature: 0.950000 Total energy: -203.486820 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.486820 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.486820 (E_RNA) where: Base-Base interactions energy: -132.753 where: short stacking energy: -56.046 Base-Backbone interact. energy: -0.390 local terms energy: -70.343091 where: bonds (distance) C4'-P energy: -15.819 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -11.740 flat angles P-C4'-P energy: -10.963 tors. eta vs tors. theta energy: -17.894 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: 6 ===================================== Write number: 344 Temperature: 1.000000 Total energy: -199.097319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.097319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.097319 (E_RNA) where: Base-Base interactions energy: -130.152 where: short stacking energy: -56.048 Base-Backbone interact. energy: -0.234 local terms energy: -68.712186 where: bonds (distance) C4'-P energy: -11.794 bonds (distance) P-C4' energy: -14.927 flat angles C4'-P-C4' energy: -14.814 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -17.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 344 Temperature: 1.050000 Total energy: -196.394341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.394341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.394341 (E_RNA) where: Base-Base interactions energy: -129.730 where: short stacking energy: -60.819 Base-Backbone interact. energy: -0.006 local terms energy: -66.658440 where: bonds (distance) C4'-P energy: -13.620 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -14.144 flat angles P-C4'-P energy: -5.659 tors. eta vs tors. theta energy: -17.734 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: 4 ===================================== Write number: 344 Temperature: 1.100000 Total energy: -187.197398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.197398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.197398 (E_RNA) where: Base-Base interactions energy: -118.489 where: short stacking energy: -54.648 Base-Backbone interact. energy: -0.042 local terms energy: -68.666450 where: bonds (distance) C4'-P energy: -14.689 bonds (distance) P-C4' energy: -11.237 flat angles C4'-P-C4' energy: -16.171 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -15.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 344 Temperature: 1.150000 Total energy: -183.169725 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.169725 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.169725 (E_RNA) where: Base-Base interactions energy: -128.345 where: short stacking energy: -52.756 Base-Backbone interact. energy: -0.010 local terms energy: -54.814564 where: bonds (distance) C4'-P energy: -8.637 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -11.823 flat angles P-C4'-P energy: -7.414 tors. eta vs tors. theta energy: -11.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 344 Temperature: 1.200000 Total energy: -172.657545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.657545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.657545 (E_RNA) where: Base-Base interactions energy: -116.977 where: short stacking energy: -52.571 Base-Backbone interact. energy: -0.115 local terms energy: -55.565941 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -10.279 flat angles P-C4'-P energy: -6.255 tors. eta vs tors. theta energy: -12.307 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: 8 ===================================== Write number: 344 Temperature: 1.250000 Total energy: -76.548447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.548447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.548447 (E_RNA) where: Base-Base interactions energy: -34.377 where: short stacking energy: -31.300 Base-Backbone interact. energy: 1.213 local terms energy: -43.384307 where: bonds (distance) C4'-P energy: -9.696 bonds (distance) P-C4' energy: -12.173 flat angles C4'-P-C4' energy: -10.236 flat angles P-C4'-P energy: -6.644 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: 9, replica: 3 ===================================== Write number: 344 Temperature: 1.300000 Total energy: -74.572258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.572258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.572258 (E_RNA) where: Base-Base interactions energy: -30.827 where: short stacking energy: -21.219 Base-Backbone interact. energy: 0.195 local terms energy: -43.940188 where: bonds (distance) C4'-P energy: -10.242 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -8.770 flat angles P-C4'-P energy: -11.004 tors. eta vs tors. theta energy: 0.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 344 Temperature: 1.350000 Total energy: -78.893739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.893739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.893739 (E_RNA) where: Base-Base interactions energy: -24.460 where: short stacking energy: -24.460 Base-Backbone interact. energy: -0.085 local terms energy: -54.347962 where: bonds (distance) C4'-P energy: -14.303 bonds (distance) P-C4' energy: -9.514 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -10.782 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: 1, replica: 2 ===================================== Write number: 345 Temperature: 0.900000 Total energy: -206.975570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.975570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.975570 (E_RNA) where: Base-Base interactions energy: -136.743 where: short stacking energy: -57.352 Base-Backbone interact. energy: -0.073 local terms energy: -70.159670 where: bonds (distance) C4'-P energy: -13.410 bonds (distance) P-C4' energy: -15.923 flat angles C4'-P-C4' energy: -13.512 flat angles P-C4'-P energy: -10.350 tors. eta vs tors. theta energy: -16.965 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 345 Temperature: 0.950000 Total energy: -181.158702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.158702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.158702 (E_RNA) where: Base-Base interactions energy: -115.737 where: short stacking energy: -51.316 Base-Backbone interact. energy: -0.050 local terms energy: -65.371709 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -14.800 flat angles C4'-P-C4' energy: -14.708 flat angles P-C4'-P energy: -9.034 tors. eta vs tors. theta energy: -12.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 345 Temperature: 1.000000 Total energy: -206.881799 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.881799 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.881799 (E_RNA) where: Base-Base interactions energy: -131.826 where: short stacking energy: -65.139 Base-Backbone interact. energy: -0.003 local terms energy: -75.052841 where: bonds (distance) C4'-P energy: -13.015 bonds (distance) P-C4' energy: -13.429 flat angles C4'-P-C4' energy: -16.032 flat angles P-C4'-P energy: -11.188 tors. eta vs tors. theta energy: -21.388 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 345 Temperature: 1.050000 Total energy: -194.973018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.973018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.973018 (E_RNA) where: Base-Base interactions energy: -129.249 where: short stacking energy: -63.829 Base-Backbone interact. energy: -0.103 local terms energy: -65.621098 where: bonds (distance) C4'-P energy: -13.322 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -15.284 flat angles P-C4'-P energy: -8.262 tors. eta vs tors. theta energy: -16.651 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: 5, replica: 4 ===================================== Write number: 345 Temperature: 1.100000 Total energy: -183.537615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.537615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.537615 (E_RNA) where: Base-Base interactions energy: -124.070 where: short stacking energy: -52.254 Base-Backbone interact. energy: -0.092 local terms energy: -59.376110 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -12.026 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -11.843 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: 10 ===================================== Write number: 345 Temperature: 1.150000 Total energy: -189.400282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.400282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.400282 (E_RNA) where: Base-Base interactions energy: -123.404 where: short stacking energy: -57.946 Base-Backbone interact. energy: -0.023 local terms energy: -65.973437 where: bonds (distance) C4'-P energy: -9.754 bonds (distance) P-C4' energy: -13.624 flat angles C4'-P-C4' energy: -15.126 flat angles P-C4'-P energy: -9.767 tors. eta vs tors. theta energy: -17.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 345 Temperature: 1.200000 Total energy: -177.572345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.572345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.572345 (E_RNA) where: Base-Base interactions energy: -114.513 where: short stacking energy: -52.758 Base-Backbone interact. energy: -0.066 local terms energy: -62.993369 where: bonds (distance) C4'-P energy: -12.910 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -11.009 flat angles P-C4'-P energy: -7.470 tors. eta vs tors. theta energy: -17.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 345 Temperature: 1.250000 Total energy: -80.770271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.770271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.770271 (E_RNA) where: Base-Base interactions energy: -30.798 where: short stacking energy: -30.798 Base-Backbone interact. energy: 0.253 local terms energy: -50.224697 where: bonds (distance) C4'-P energy: -12.290 bonds (distance) P-C4' energy: -13.966 flat angles C4'-P-C4' energy: -11.595 flat angles P-C4'-P energy: -9.103 tors. eta vs tors. theta energy: -3.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 345 Temperature: 1.300000 Total energy: -80.544319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.544319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.544319 (E_RNA) where: Base-Base interactions energy: -27.149 where: short stacking energy: -23.810 Base-Backbone interact. energy: 0.098 local terms energy: -53.493233 where: bonds (distance) C4'-P energy: -10.164 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -13.616 flat angles P-C4'-P energy: -11.240 tors. eta vs tors. theta energy: -5.343 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 345 Temperature: 1.350000 Total energy: -72.036871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.036871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.036871 (E_RNA) where: Base-Base interactions energy: -32.051 where: short stacking energy: -24.491 Base-Backbone interact. energy: -0.078 local terms energy: -39.908576 where: bonds (distance) C4'-P energy: -14.995 bonds (distance) P-C4' energy: -11.596 flat angles C4'-P-C4' energy: -7.852 flat angles P-C4'-P energy: -2.815 tors. eta vs tors. theta energy: -2.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 346 Temperature: 0.900000 Total energy: -210.795203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.795203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.795203 (E_RNA) where: Base-Base interactions energy: -142.436 where: short stacking energy: -72.047 Base-Backbone interact. energy: -0.009 local terms energy: -68.350391 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -8.359 flat angles C4'-P-C4' energy: -15.681 flat angles P-C4'-P energy: -9.368 tors. eta vs tors. theta energy: -21.637 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: 2 ===================================== Write number: 346 Temperature: 0.950000 Total energy: -205.864714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.864714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.864714 (E_RNA) where: Base-Base interactions energy: -137.942 where: short stacking energy: -64.083 Base-Backbone interact. energy: -0.001 local terms energy: -67.922428 where: bonds (distance) C4'-P energy: -12.375 bonds (distance) P-C4' energy: -13.188 flat angles C4'-P-C4' energy: -16.196 flat angles P-C4'-P energy: -6.228 tors. eta vs tors. theta energy: -19.936 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: 5 ===================================== Write number: 346 Temperature: 1.000000 Total energy: -192.452196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.452196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.452196 (E_RNA) where: Base-Base interactions energy: -122.047 where: short stacking energy: -59.119 Base-Backbone interact. energy: -0.061 local terms energy: -70.343761 where: bonds (distance) C4'-P energy: -14.992 bonds (distance) P-C4' energy: -12.062 flat angles C4'-P-C4' energy: -15.292 flat angles P-C4'-P energy: -10.558 tors. eta vs tors. theta energy: -17.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 346 Temperature: 1.050000 Total energy: -199.385854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.385854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.385854 (E_RNA) where: Base-Base interactions energy: -128.678 where: short stacking energy: -53.906 Base-Backbone interact. energy: -0.414 local terms energy: -70.294033 where: bonds (distance) C4'-P energy: -13.527 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -14.385 flat angles P-C4'-P energy: -10.892 tors. eta vs tors. theta energy: -16.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 346 Temperature: 1.100000 Total energy: -190.987519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.987519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.987519 (E_RNA) where: Base-Base interactions energy: -124.111 where: short stacking energy: -60.346 Base-Backbone interact. energy: -0.388 local terms energy: -66.488303 where: bonds (distance) C4'-P energy: -12.776 bonds (distance) P-C4' energy: -14.475 flat angles C4'-P-C4' energy: -9.428 flat angles P-C4'-P energy: -14.170 tors. eta vs tors. theta energy: -15.639 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: 6, replica: 4 ===================================== Write number: 346 Temperature: 1.150000 Total energy: -195.447115 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.447115 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.447115 (E_RNA) where: Base-Base interactions energy: -126.449 where: short stacking energy: -56.562 Base-Backbone interact. energy: -0.005 local terms energy: -68.992837 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -13.354 flat angles C4'-P-C4' energy: -15.105 flat angles P-C4'-P energy: -10.092 tors. eta vs tors. theta energy: -17.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 346 Temperature: 1.200000 Total energy: -181.074866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.074866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.074866 (E_RNA) where: Base-Base interactions energy: -119.152 where: short stacking energy: -57.334 Base-Backbone interact. energy: -0.004 local terms energy: -61.919580 where: bonds (distance) C4'-P energy: -8.488 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -12.179 flat angles P-C4'-P energy: -8.039 tors. eta vs tors. theta energy: -20.110 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: 3 ===================================== Write number: 346 Temperature: 1.250000 Total energy: -112.371665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -112.371665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -112.371665 (E_RNA) where: Base-Base interactions energy: -56.097 where: short stacking energy: -29.234 Base-Backbone interact. energy: -0.666 local terms energy: -55.608113 where: bonds (distance) C4'-P energy: -13.074 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -8.909 flat angles P-C4'-P energy: -8.070 tors. eta vs tors. theta energy: -9.614 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: 8 ===================================== Write number: 346 Temperature: 1.300000 Total energy: -79.025879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.025879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.025879 (E_RNA) where: Base-Base interactions energy: -33.057 where: short stacking energy: -29.458 Base-Backbone interact. energy: -0.164 local terms energy: -45.804990 where: bonds (distance) C4'-P energy: -10.094 bonds (distance) P-C4' energy: -12.921 flat angles C4'-P-C4' energy: -14.618 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -3.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 346 Temperature: 1.350000 Total energy: -89.952506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.952506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.952506 (E_RNA) where: Base-Base interactions energy: -35.655 where: short stacking energy: -35.655 Base-Backbone interact. energy: -0.112 local terms energy: -54.185477 where: bonds (distance) C4'-P energy: -9.173 bonds (distance) P-C4' energy: -14.240 flat angles C4'-P-C4' energy: -12.493 flat angles P-C4'-P energy: -9.560 tors. eta vs tors. theta energy: -8.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 347 Temperature: 0.900000 Total energy: -213.000128 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.000128 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.000128 (E_RNA) where: Base-Base interactions energy: -143.319 where: short stacking energy: -55.934 Base-Backbone interact. energy: -0.505 local terms energy: -69.176137 where: bonds (distance) C4'-P energy: -15.264 bonds (distance) P-C4' energy: -16.407 flat angles C4'-P-C4' energy: -15.416 flat angles P-C4'-P energy: -8.598 tors. eta vs tors. theta energy: -13.491 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: 2 ===================================== Write number: 347 Temperature: 0.950000 Total energy: -210.728518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.728518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.728518 (E_RNA) where: Base-Base interactions energy: -136.908 where: short stacking energy: -63.112 Base-Backbone interact. energy: -0.465 local terms energy: -73.356011 where: bonds (distance) C4'-P energy: -13.479 bonds (distance) P-C4' energy: -15.988 flat angles C4'-P-C4' energy: -15.842 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -19.857 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: 347 Temperature: 1.000000 Total energy: -202.566441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.566441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.566441 (E_RNA) where: Base-Base interactions energy: -127.813 where: short stacking energy: -59.899 Base-Backbone interact. energy: -0.033 local terms energy: -74.721161 where: bonds (distance) C4'-P energy: -14.015 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -15.481 flat angles P-C4'-P energy: -12.123 tors. eta vs tors. theta energy: -17.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 347 Temperature: 1.050000 Total energy: -195.442662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.442662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.442662 (E_RNA) where: Base-Base interactions energy: -125.659 where: short stacking energy: -60.195 Base-Backbone interact. energy: -0.113 local terms energy: -69.670895 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -14.229 flat angles C4'-P-C4' energy: -15.166 flat angles P-C4'-P energy: -9.290 tors. eta vs tors. theta energy: -15.940 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 347 Temperature: 1.100000 Total energy: -190.887282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.887282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.887282 (E_RNA) where: Base-Base interactions energy: -125.889 where: short stacking energy: -61.718 Base-Backbone interact. energy: -0.003 local terms energy: -64.995433 where: bonds (distance) C4'-P energy: -15.174 bonds (distance) P-C4' energy: -11.346 flat angles C4'-P-C4' energy: -14.502 flat angles P-C4'-P energy: -9.009 tors. eta vs tors. theta energy: -14.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 347 Temperature: 1.150000 Total energy: -192.159198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.159198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.159198 (E_RNA) where: Base-Base interactions energy: -126.120 where: short stacking energy: -64.060 Base-Backbone interact. energy: -0.005 local terms energy: -66.034711 where: bonds (distance) C4'-P energy: -15.325 bonds (distance) P-C4' energy: -9.160 flat angles C4'-P-C4' energy: -14.350 flat angles P-C4'-P energy: -10.501 tors. eta vs tors. theta energy: -16.698 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 347 Temperature: 1.200000 Total energy: -176.080342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.080342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.080342 (E_RNA) where: Base-Base interactions energy: -114.987 where: short stacking energy: -46.343 Base-Backbone interact. energy: -0.182 local terms energy: -60.911180 where: bonds (distance) C4'-P energy: -13.654 bonds (distance) P-C4' energy: -13.871 flat angles C4'-P-C4' energy: -12.855 flat angles P-C4'-P energy: -7.849 tors. eta vs tors. theta energy: -12.682 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: 8, replica: 3 ===================================== Write number: 347 Temperature: 1.250000 Total energy: -116.907421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -116.907421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -116.907421 (E_RNA) where: Base-Base interactions energy: -65.302 where: short stacking energy: -35.229 Base-Backbone interact. energy: -0.656 local terms energy: -50.949321 where: bonds (distance) C4'-P energy: -10.574 bonds (distance) P-C4' energy: -10.094 flat angles C4'-P-C4' energy: -12.594 flat angles P-C4'-P energy: -5.160 tors. eta vs tors. theta energy: -12.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 347 Temperature: 1.300000 Total energy: -75.226326 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.226326 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.226326 (E_RNA) where: Base-Base interactions energy: -28.764 where: short stacking energy: -28.764 Base-Backbone interact. energy: -0.184 local terms energy: -46.278586 where: bonds (distance) C4'-P energy: -14.585 bonds (distance) P-C4' energy: -13.859 flat angles C4'-P-C4' energy: -6.847 flat angles P-C4'-P energy: -4.767 tors. eta vs tors. theta energy: -6.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 347 Temperature: 1.350000 Total energy: -68.007912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.007912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.007912 (E_RNA) where: Base-Base interactions energy: -22.814 where: short stacking energy: -20.954 Base-Backbone interact. energy: -0.025 local terms energy: -45.169220 where: bonds (distance) C4'-P energy: -8.790 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -9.280 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: 1, replica: 6 ===================================== Write number: 348 Temperature: 0.900000 Total energy: -208.811242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.811242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.811242 (E_RNA) where: Base-Base interactions energy: -132.944 where: short stacking energy: -59.233 Base-Backbone interact. energy: -0.089 local terms energy: -75.778105 where: bonds (distance) C4'-P energy: -14.555 bonds (distance) P-C4' energy: -16.450 flat angles C4'-P-C4' energy: -15.281 flat angles P-C4'-P energy: -10.622 tors. eta vs tors. theta energy: -18.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 348 Temperature: 0.950000 Total energy: -198.848774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.848774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.848774 (E_RNA) where: Base-Base interactions energy: -134.329 where: short stacking energy: -58.039 Base-Backbone interact. energy: -0.109 local terms energy: -64.410594 where: bonds (distance) C4'-P energy: -11.601 bonds (distance) P-C4' energy: -12.779 flat angles C4'-P-C4' energy: -17.382 flat angles P-C4'-P energy: -7.565 tors. eta vs tors. theta energy: -15.083 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 348 Temperature: 1.000000 Total energy: -206.014406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.014406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.014406 (E_RNA) where: Base-Base interactions energy: -137.378 where: short stacking energy: -68.473 Base-Backbone interact. energy: -0.059 local terms energy: -68.577673 where: bonds (distance) C4'-P energy: -11.797 bonds (distance) P-C4' energy: -12.833 flat angles C4'-P-C4' energy: -14.355 flat angles P-C4'-P energy: -9.102 tors. eta vs tors. theta energy: -20.490 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 348 Temperature: 1.050000 Total energy: -194.499515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.499515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.499515 (E_RNA) where: Base-Base interactions energy: -128.707 where: short stacking energy: -62.934 Base-Backbone interact. energy: -0.001 local terms energy: -65.790677 where: bonds (distance) C4'-P energy: -15.084 bonds (distance) P-C4' energy: -8.213 flat angles C4'-P-C4' energy: -13.055 flat angles P-C4'-P energy: -11.084 tors. eta vs tors. theta energy: -18.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 348 Temperature: 1.100000 Total energy: -183.371741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.371741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.371741 (E_RNA) where: Base-Base interactions energy: -128.139 where: short stacking energy: -53.242 Base-Backbone interact. energy: -0.402 local terms energy: -54.830445 where: bonds (distance) C4'-P energy: -10.384 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -7.430 flat angles P-C4'-P energy: -12.908 tors. eta vs tors. theta energy: -11.995 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: 1 ===================================== Write number: 348 Temperature: 1.150000 Total energy: -168.729895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.729895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.729895 (E_RNA) where: Base-Base interactions energy: -117.197 where: short stacking energy: -53.448 Base-Backbone interact. energy: -0.091 local terms energy: -51.442302 where: bonds (distance) C4'-P energy: -8.480 bonds (distance) P-C4' energy: -7.016 flat angles C4'-P-C4' energy: -13.317 flat angles P-C4'-P energy: -8.843 tors. eta vs tors. theta energy: -13.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 348 Temperature: 1.200000 Total energy: -162.906430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.906430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.906430 (E_RNA) where: Base-Base interactions energy: -106.877 where: short stacking energy: -55.454 Base-Backbone interact. energy: -0.111 local terms energy: -55.918822 where: bonds (distance) C4'-P energy: -7.734 bonds (distance) P-C4' energy: -12.289 flat angles C4'-P-C4' energy: -14.741 flat angles P-C4'-P energy: -9.011 tors. eta vs tors. theta energy: -12.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 348 Temperature: 1.250000 Total energy: -144.739215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -144.739215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -144.739215 (E_RNA) where: Base-Base interactions energy: -93.502 where: short stacking energy: -42.477 Base-Backbone interact. energy: -0.786 local terms energy: -50.451406 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -10.916 flat angles C4'-P-C4' energy: -11.461 flat angles P-C4'-P energy: -1.875 tors. eta vs tors. theta energy: -12.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 348 Temperature: 1.300000 Total energy: -73.796504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.796504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.796504 (E_RNA) where: Base-Base interactions energy: -22.634 where: short stacking energy: -9.957 Base-Backbone interact. energy: 2.981 local terms energy: -54.143738 where: bonds (distance) C4'-P energy: -16.337 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -11.525 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: 10, replica: 8 ===================================== Write number: 348 Temperature: 1.350000 Total energy: -71.041504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.041504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.041504 (E_RNA) where: Base-Base interactions energy: -26.594 where: short stacking energy: -20.797 Base-Backbone interact. energy: -1.092 local terms energy: -43.355788 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -13.529 flat angles C4'-P-C4' energy: -7.133 flat angles P-C4'-P energy: -8.897 tors. eta vs tors. theta energy: -1.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 349 Temperature: 0.900000 Total energy: -202.654169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.654169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.654169 (E_RNA) where: Base-Base interactions energy: -136.068 where: short stacking energy: -67.787 Base-Backbone interact. energy: -0.001 local terms energy: -66.585021 where: bonds (distance) C4'-P energy: -9.109 bonds (distance) P-C4' energy: -13.300 flat angles C4'-P-C4' energy: -15.768 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -18.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 349 Temperature: 0.950000 Total energy: -201.640657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.640657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.640657 (E_RNA) where: Base-Base interactions energy: -132.598 where: short stacking energy: -66.708 Base-Backbone interact. energy: -0.002 local terms energy: -69.040657 where: bonds (distance) C4'-P energy: -14.630 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -9.453 flat angles P-C4'-P energy: -11.373 tors. eta vs tors. theta energy: -20.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 349 Temperature: 1.000000 Total energy: -200.112650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.112650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.112650 (E_RNA) where: Base-Base interactions energy: -133.965 where: short stacking energy: -70.448 Base-Backbone interact. energy: -0.059 local terms energy: -66.088521 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -14.159 flat angles C4'-P-C4' energy: -9.922 flat angles P-C4'-P energy: -12.379 tors. eta vs tors. theta energy: -19.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 349 Temperature: 1.050000 Total energy: -206.700872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.700872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.700872 (E_RNA) where: Base-Base interactions energy: -133.880 where: short stacking energy: -60.679 Base-Backbone interact. energy: -0.086 local terms energy: -72.735183 where: bonds (distance) C4'-P energy: -13.824 bonds (distance) P-C4' energy: -14.359 flat angles C4'-P-C4' energy: -13.751 flat angles P-C4'-P energy: -9.912 tors. eta vs tors. theta energy: -20.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 10 ===================================== Write number: 349 Temperature: 1.100000 Total energy: -191.726352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.726352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.726352 (E_RNA) where: Base-Base interactions energy: -131.688 where: short stacking energy: -61.393 Base-Backbone interact. energy: -0.007 local terms energy: -60.031495 where: bonds (distance) C4'-P energy: -9.924 bonds (distance) P-C4' energy: -8.708 flat angles C4'-P-C4' energy: -14.096 flat angles P-C4'-P energy: -8.635 tors. eta vs tors. theta energy: -18.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 349 Temperature: 1.150000 Total energy: -180.787254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.787254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.787254 (E_RNA) where: Base-Base interactions energy: -121.753 where: short stacking energy: -57.865 Base-Backbone interact. energy: -0.012 local terms energy: -59.022536 where: bonds (distance) C4'-P energy: -11.249 bonds (distance) P-C4' energy: -10.611 flat angles C4'-P-C4' energy: -14.450 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -12.649 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 349 Temperature: 1.200000 Total energy: -169.715169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.715169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.715169 (E_RNA) where: Base-Base interactions energy: -112.418 where: short stacking energy: -48.318 Base-Backbone interact. energy: -0.036 local terms energy: -57.260374 where: bonds (distance) C4'-P energy: -13.092 bonds (distance) P-C4' energy: -14.387 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -8.591 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: 8, replica: 3 ===================================== Write number: 349 Temperature: 1.250000 Total energy: -160.624346 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.624346 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.624346 (E_RNA) where: Base-Base interactions energy: -103.879 where: short stacking energy: -57.620 Base-Backbone interact. energy: -0.005 local terms energy: -56.740607 where: bonds (distance) C4'-P energy: -14.557 bonds (distance) P-C4' energy: -11.234 flat angles C4'-P-C4' energy: -6.571 flat angles P-C4'-P energy: -9.060 tors. eta vs tors. theta energy: -15.319 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 349 Temperature: 1.300000 Total energy: -70.225106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.225106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.225106 (E_RNA) where: Base-Base interactions energy: -29.128 where: short stacking energy: -23.675 Base-Backbone interact. energy: -0.059 local terms energy: -41.038854 where: bonds (distance) C4'-P energy: -8.603 bonds (distance) P-C4' energy: -12.280 flat angles C4'-P-C4' energy: -11.092 flat angles P-C4'-P energy: -8.028 tors. eta vs tors. theta energy: -1.035 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 349 Temperature: 1.350000 Total energy: -73.388727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.388727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.388727 (E_RNA) where: Base-Base interactions energy: -31.014 where: short stacking energy: -16.551 Base-Backbone interact. energy: -0.030 local terms energy: -42.345340 where: bonds (distance) C4'-P energy: -13.264 bonds (distance) P-C4' energy: -11.803 flat angles C4'-P-C4' energy: -6.454 flat angles P-C4'-P energy: -9.632 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: 6 ===================================== Write number: 350 Temperature: 0.900000 Total energy: -206.166621 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.166621 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.166621 (E_RNA) where: Base-Base interactions energy: -132.340 where: short stacking energy: -69.273 Base-Backbone interact. energy: -0.001 local terms energy: -73.825050 where: bonds (distance) C4'-P energy: -15.997 bonds (distance) P-C4' energy: -13.546 flat angles C4'-P-C4' energy: -15.906 flat angles P-C4'-P energy: -8.384 tors. eta vs tors. theta energy: -19.993 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 350 Temperature: 0.950000 Total energy: -198.434963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.434963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.434963 (E_RNA) where: Base-Base interactions energy: -129.689 where: short stacking energy: -63.385 Base-Backbone interact. energy: -0.072 local terms energy: -68.674146 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -13.556 flat angles C4'-P-C4' energy: -14.250 flat angles P-C4'-P energy: -11.713 tors. eta vs tors. theta energy: -15.679 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: 4 ===================================== Write number: 350 Temperature: 1.000000 Total energy: -190.086186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.086186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.086186 (E_RNA) where: Base-Base interactions energy: -128.482 where: short stacking energy: -65.297 Base-Backbone interact. energy: -0.336 local terms energy: -61.268070 where: bonds (distance) C4'-P energy: -11.207 bonds (distance) P-C4' energy: -14.225 flat angles C4'-P-C4' energy: -10.547 flat angles P-C4'-P energy: -6.060 tors. eta vs tors. theta energy: -19.230 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: 5 ===================================== Write number: 350 Temperature: 1.050000 Total energy: -204.008572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.008572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.008572 (E_RNA) where: Base-Base interactions energy: -132.348 where: short stacking energy: -60.526 Base-Backbone interact. energy: -0.283 local terms energy: -71.377645 where: bonds (distance) C4'-P energy: -14.880 bonds (distance) P-C4' energy: -14.630 flat angles C4'-P-C4' energy: -10.295 flat angles P-C4'-P energy: -11.878 tors. eta vs tors. theta energy: -19.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 350 Temperature: 1.100000 Total energy: -181.920212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.920212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.920212 (E_RNA) where: Base-Base interactions energy: -126.828 where: short stacking energy: -57.450 Base-Backbone interact. energy: -0.070 local terms energy: -55.021644 where: bonds (distance) C4'-P energy: -12.602 bonds (distance) P-C4' energy: -11.523 flat angles C4'-P-C4' energy: -12.703 flat angles P-C4'-P energy: -3.671 tors. eta vs tors. theta energy: -14.524 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 350 Temperature: 1.150000 Total energy: -184.573537 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.573537 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.573537 (E_RNA) where: Base-Base interactions energy: -117.627 where: short stacking energy: -49.151 Base-Backbone interact. energy: -0.112 local terms energy: -66.834265 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -13.802 flat angles C4'-P-C4' energy: -14.358 flat angles P-C4'-P energy: -9.759 tors. eta vs tors. theta energy: -13.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 350 Temperature: 1.200000 Total energy: -177.162845 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.162845 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.162845 (E_RNA) where: Base-Base interactions energy: -119.075 where: short stacking energy: -57.617 Base-Backbone interact. energy: -0.476 local terms energy: -57.611167 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -14.695 flat angles C4'-P-C4' energy: -14.027 flat angles P-C4'-P energy: -5.964 tors. eta vs tors. theta energy: -10.517 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: 3 ===================================== Write number: 350 Temperature: 1.250000 Total energy: -158.937139 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -158.937139 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -158.937139 (E_RNA) where: Base-Base interactions energy: -100.197 where: short stacking energy: -37.498 Base-Backbone interact. energy: -0.227 local terms energy: -58.513182 where: bonds (distance) C4'-P energy: -10.983 bonds (distance) P-C4' energy: -14.829 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -10.720 tors. eta vs tors. theta energy: -9.298 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 350 Temperature: 1.300000 Total energy: -79.536354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.536354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.536354 (E_RNA) where: Base-Base interactions energy: -34.287 where: short stacking energy: -29.861 Base-Backbone interact. energy: -0.048 local terms energy: -45.201580 where: bonds (distance) C4'-P energy: -8.528 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -7.336 tors. eta vs tors. theta energy: -2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 350 Temperature: 1.350000 Total energy: -78.869926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.869926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.869926 (E_RNA) where: Base-Base interactions energy: -32.165 where: short stacking energy: -32.165 Base-Backbone interact. energy: -0.061 local terms energy: -46.643679 where: bonds (distance) C4'-P energy: -12.142 bonds (distance) P-C4' energy: -13.322 flat angles C4'-P-C4' energy: -8.230 flat angles P-C4'-P energy: -6.580 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: 6 ===================================== Write number: 351 Temperature: 0.900000 Total energy: -210.846012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.846012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.846012 (E_RNA) where: Base-Base interactions energy: -141.748 where: short stacking energy: -63.419 Base-Backbone interact. energy: -0.059 local terms energy: -69.038117 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -15.219 flat angles C4'-P-C4' energy: -15.165 flat angles P-C4'-P energy: -11.601 tors. eta vs tors. theta energy: -16.923 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 351 Temperature: 0.950000 Total energy: -204.462997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.462997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.462997 (E_RNA) where: Base-Base interactions energy: -135.957 where: short stacking energy: -66.614 Base-Backbone interact. energy: -0.000 local terms energy: -68.505300 where: bonds (distance) C4'-P energy: -12.127 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -16.735 flat angles P-C4'-P energy: -7.065 tors. eta vs tors. theta energy: -16.497 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: 2 ===================================== Write number: 351 Temperature: 1.000000 Total energy: -199.759754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.759754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.759754 (E_RNA) where: Base-Base interactions energy: -128.037 where: short stacking energy: -62.378 Base-Backbone interact. energy: -0.002 local terms energy: -71.720305 where: bonds (distance) C4'-P energy: -12.023 bonds (distance) P-C4' energy: -13.926 flat angles C4'-P-C4' energy: -16.179 flat angles P-C4'-P energy: -10.635 tors. eta vs tors. theta energy: -18.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 351 Temperature: 1.050000 Total energy: -192.866073 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.866073 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.866073 (E_RNA) where: Base-Base interactions energy: -129.460 where: short stacking energy: -66.364 Base-Backbone interact. energy: -0.055 local terms energy: -63.351105 where: bonds (distance) C4'-P energy: -12.147 bonds (distance) P-C4' energy: -8.769 flat angles C4'-P-C4' energy: -14.297 flat angles P-C4'-P energy: -11.450 tors. eta vs tors. theta energy: -16.688 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: 351 Temperature: 1.100000 Total energy: -199.382850 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.382850 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.382850 (E_RNA) where: Base-Base interactions energy: -132.079 where: short stacking energy: -65.978 Base-Backbone interact. energy: 0.189 local terms energy: -67.492628 where: bonds (distance) C4'-P energy: -11.730 bonds (distance) P-C4' energy: -13.776 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -9.855 tors. eta vs tors. theta energy: -18.629 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 351 Temperature: 1.150000 Total energy: -174.527739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.527739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.527739 (E_RNA) where: Base-Base interactions energy: -115.641 where: short stacking energy: -43.923 Base-Backbone interact. energy: -0.084 local terms energy: -58.803047 where: bonds (distance) C4'-P energy: -12.884 bonds (distance) P-C4' energy: -13.265 flat angles C4'-P-C4' energy: -12.269 flat angles P-C4'-P energy: -10.244 tors. eta vs tors. theta energy: -10.141 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 351 Temperature: 1.200000 Total energy: -172.405548 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.405548 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.405548 (E_RNA) where: Base-Base interactions energy: -119.044 where: short stacking energy: -52.753 Base-Backbone interact. energy: 1.060 local terms energy: -54.421886 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -7.754 flat angles C4'-P-C4' energy: -14.359 flat angles P-C4'-P energy: -8.456 tors. eta vs tors. theta energy: -11.442 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 351 Temperature: 1.250000 Total energy: -77.016229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.016229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.016229 (E_RNA) where: Base-Base interactions energy: -23.891 where: short stacking energy: -16.647 Base-Backbone interact. energy: -0.265 local terms energy: -52.860287 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -12.545 flat angles C4'-P-C4' energy: -15.291 flat angles P-C4'-P energy: -9.524 tors. eta vs tors. theta energy: -0.932 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 351 Temperature: 1.300000 Total energy: -148.462176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.462176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.462176 (E_RNA) where: Base-Base interactions energy: -96.516 where: short stacking energy: -42.403 Base-Backbone interact. energy: -0.132 local terms energy: -51.814628 where: bonds (distance) C4'-P energy: -14.274 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -11.163 flat angles P-C4'-P energy: -4.478 tors. eta vs tors. theta energy: -7.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 351 Temperature: 1.350000 Total energy: -70.096983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.096983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.096983 (E_RNA) where: Base-Base interactions energy: -29.390 where: short stacking energy: -29.390 Base-Backbone interact. energy: -0.131 local terms energy: -40.575690 where: bonds (distance) C4'-P energy: -11.229 bonds (distance) P-C4' energy: -6.771 flat angles C4'-P-C4' energy: -10.492 flat angles P-C4'-P energy: -7.948 tors. eta vs tors. theta energy: -4.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 352 Temperature: 0.900000 Total energy: -211.145883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.145883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.145883 (E_RNA) where: Base-Base interactions energy: -144.615 where: short stacking energy: -64.707 Base-Backbone interact. energy: 0.150 local terms energy: -66.681015 where: bonds (distance) C4'-P energy: -14.250 bonds (distance) P-C4' energy: -14.700 flat angles C4'-P-C4' energy: -12.897 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -17.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 352 Temperature: 0.950000 Total energy: -206.699864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.699864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.699864 (E_RNA) where: Base-Base interactions energy: -137.468 where: short stacking energy: -63.209 Base-Backbone interact. energy: -0.633 local terms energy: -68.599263 where: bonds (distance) C4'-P energy: -12.922 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -15.215 flat angles P-C4'-P energy: -7.106 tors. eta vs tors. theta energy: -19.210 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 352 Temperature: 1.000000 Total energy: -201.521551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.521551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.521551 (E_RNA) where: Base-Base interactions energy: -136.411 where: short stacking energy: -65.222 Base-Backbone interact. energy: -0.140 local terms energy: -64.971231 where: bonds (distance) C4'-P energy: -12.367 bonds (distance) P-C4' energy: -10.244 flat angles C4'-P-C4' energy: -13.186 flat angles P-C4'-P energy: -11.449 tors. eta vs tors. theta energy: -17.724 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: 352 Temperature: 1.050000 Total energy: -200.894132 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.894132 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.894132 (E_RNA) where: Base-Base interactions energy: -129.773 where: short stacking energy: -62.068 Base-Backbone interact. energy: -0.002 local terms energy: -71.119109 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -16.056 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -20.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 352 Temperature: 1.100000 Total energy: -177.628671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.628671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.628671 (E_RNA) where: Base-Base interactions energy: -123.271 where: short stacking energy: -52.954 Base-Backbone interact. energy: -0.665 local terms energy: -53.692663 where: bonds (distance) C4'-P energy: -9.660 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -7.349 tors. eta vs tors. theta energy: -10.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 352 Temperature: 1.150000 Total energy: -186.903574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.903574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.903574 (E_RNA) where: Base-Base interactions energy: -117.464 where: short stacking energy: -51.313 Base-Backbone interact. energy: -1.296 local terms energy: -68.143599 where: bonds (distance) C4'-P energy: -15.322 bonds (distance) P-C4' energy: -12.577 flat angles C4'-P-C4' energy: -15.740 flat angles P-C4'-P energy: -4.733 tors. eta vs tors. theta energy: -19.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 352 Temperature: 1.200000 Total energy: -163.335692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.335692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.335692 (E_RNA) where: Base-Base interactions energy: -111.483 where: short stacking energy: -48.611 Base-Backbone interact. energy: -0.215 local terms energy: -51.637880 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -10.601 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -12.636 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 352 Temperature: 1.250000 Total energy: -88.092265 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.092265 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.092265 (E_RNA) where: Base-Base interactions energy: -38.009 where: short stacking energy: -38.709 Base-Backbone interact. energy: -0.683 local terms energy: -49.399411 where: bonds (distance) C4'-P energy: -7.800 bonds (distance) P-C4' energy: -14.084 flat angles C4'-P-C4' energy: -9.737 flat angles P-C4'-P energy: -5.780 tors. eta vs tors. theta energy: -11.998 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 352 Temperature: 1.300000 Total energy: -138.617961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -138.617961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -138.617961 (E_RNA) where: Base-Base interactions energy: -89.967 where: short stacking energy: -43.015 Base-Backbone interact. energy: -0.023 local terms energy: -48.627906 where: bonds (distance) C4'-P energy: -15.326 bonds (distance) P-C4' energy: -7.623 flat angles C4'-P-C4' energy: -6.782 flat angles P-C4'-P energy: -6.055 tors. eta vs tors. theta energy: -12.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 352 Temperature: 1.350000 Total energy: -68.951328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.951328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.951328 (E_RNA) where: Base-Base interactions energy: -28.412 where: short stacking energy: -15.701 Base-Backbone interact. energy: -0.352 local terms energy: -40.187029 where: bonds (distance) C4'-P energy: -7.067 bonds (distance) P-C4' energy: -16.343 flat angles C4'-P-C4' energy: -6.227 flat angles P-C4'-P energy: -9.162 tors. eta vs tors. theta energy: -1.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 353 Temperature: 0.900000 Total energy: -215.808037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.808037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.808037 (E_RNA) where: Base-Base interactions energy: -137.928 where: short stacking energy: -68.613 Base-Backbone interact. energy: -0.010 local terms energy: -77.869981 where: bonds (distance) C4'-P energy: -12.516 bonds (distance) P-C4' energy: -17.603 flat angles C4'-P-C4' energy: -17.376 flat angles P-C4'-P energy: -10.607 tors. eta vs tors. theta energy: -19.768 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: 2, replica: 1 ===================================== Write number: 353 Temperature: 0.950000 Total energy: -211.077671 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.077671 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.077671 (E_RNA) where: Base-Base interactions energy: -137.973 where: short stacking energy: -69.447 Base-Backbone interact. energy: 0.019 local terms energy: -73.123970 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -16.237 flat angles P-C4'-P energy: -10.110 tors. eta vs tors. theta energy: -19.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 353 Temperature: 1.000000 Total energy: -198.293291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.293291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.293291 (E_RNA) where: Base-Base interactions energy: -128.541 where: short stacking energy: -61.687 Base-Backbone interact. energy: -0.007 local terms energy: -69.745331 where: bonds (distance) C4'-P energy: -12.482 bonds (distance) P-C4' energy: -13.350 flat angles C4'-P-C4' energy: -13.269 flat angles P-C4'-P energy: -11.840 tors. eta vs tors. theta energy: -18.804 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: 2 ===================================== Write number: 353 Temperature: 1.050000 Total energy: -198.213012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.213012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.213012 (E_RNA) where: Base-Base interactions energy: -136.054 where: short stacking energy: -60.787 Base-Backbone interact. energy: -0.006 local terms energy: -62.152914 where: bonds (distance) C4'-P energy: -14.607 bonds (distance) P-C4' energy: -13.800 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -4.178 tors. eta vs tors. theta energy: -17.241 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: 9 ===================================== Write number: 353 Temperature: 1.100000 Total energy: -176.384524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.384524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.384524 (E_RNA) where: Base-Base interactions energy: -117.530 where: short stacking energy: -55.364 Base-Backbone interact. energy: -0.881 local terms energy: -57.973380 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -10.888 flat angles C4'-P-C4' energy: -14.040 flat angles P-C4'-P energy: -6.660 tors. eta vs tors. theta energy: -14.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 353 Temperature: 1.150000 Total energy: -177.801330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.801330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.801330 (E_RNA) where: Base-Base interactions energy: -122.393 where: short stacking energy: -55.347 Base-Backbone interact. energy: -0.840 local terms energy: -54.568726 where: bonds (distance) C4'-P energy: -7.758 bonds (distance) P-C4' energy: -12.642 flat angles C4'-P-C4' energy: -10.950 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -13.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 353 Temperature: 1.200000 Total energy: -178.029058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.029058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.029058 (E_RNA) where: Base-Base interactions energy: -124.364 where: short stacking energy: -57.367 Base-Backbone interact. energy: -0.012 local terms energy: -53.653202 where: bonds (distance) C4'-P energy: -9.615 bonds (distance) P-C4' energy: -9.873 flat angles C4'-P-C4' energy: -11.405 flat angles P-C4'-P energy: -7.478 tors. eta vs tors. theta energy: -15.282 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 353 Temperature: 1.250000 Total energy: -82.423594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.423594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.423594 (E_RNA) where: Base-Base interactions energy: -28.390 where: short stacking energy: -28.390 Base-Backbone interact. energy: -0.019 local terms energy: -54.014259 where: bonds (distance) C4'-P energy: -13.893 bonds (distance) P-C4' energy: -13.646 flat angles C4'-P-C4' energy: -12.732 flat angles P-C4'-P energy: -9.744 tors. eta vs tors. theta energy: -4.000 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 353 Temperature: 1.300000 Total energy: -67.764841 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.764841 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.764841 (E_RNA) where: Base-Base interactions energy: -23.171 where: short stacking energy: -23.171 Base-Backbone interact. energy: -0.266 local terms energy: -44.328681 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -13.131 flat angles C4'-P-C4' energy: -12.901 flat angles P-C4'-P energy: -6.480 tors. eta vs tors. theta energy: 1.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 353 Temperature: 1.350000 Total energy: -74.547917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.547917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.547917 (E_RNA) where: Base-Base interactions energy: -33.147 where: short stacking energy: -20.058 Base-Backbone interact. energy: -0.920 local terms energy: -40.479992 where: bonds (distance) C4'-P energy: -10.905 bonds (distance) P-C4' energy: -7.690 flat angles C4'-P-C4' energy: -10.069 flat angles P-C4'-P energy: -4.815 tors. eta vs tors. theta energy: -7.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 354 Temperature: 0.900000 Total energy: -212.101718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.101718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.101718 (E_RNA) where: Base-Base interactions energy: -144.269 where: short stacking energy: -69.804 Base-Backbone interact. energy: -0.463 local terms energy: -67.369861 where: bonds (distance) C4'-P energy: -6.965 bonds (distance) P-C4' energy: -13.490 flat angles C4'-P-C4' energy: -16.036 flat angles P-C4'-P energy: -11.814 tors. eta vs tors. theta energy: -19.065 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: 2, replica: 1 ===================================== Write number: 354 Temperature: 0.950000 Total energy: -196.297496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.297496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.297496 (E_RNA) where: Base-Base interactions energy: -125.139 where: short stacking energy: -56.162 Base-Backbone interact. energy: -0.006 local terms energy: -71.152623 where: bonds (distance) C4'-P energy: -12.040 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -13.682 flat angles P-C4'-P energy: -11.640 tors. eta vs tors. theta energy: -18.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 354 Temperature: 1.000000 Total energy: -202.298985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.298985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.298985 (E_RNA) where: Base-Base interactions energy: -137.107 where: short stacking energy: -61.589 Base-Backbone interact. energy: -0.003 local terms energy: -65.188877 where: bonds (distance) C4'-P energy: -13.369 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -11.682 flat angles P-C4'-P energy: -8.254 tors. eta vs tors. theta energy: -19.468 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: 2 ===================================== Write number: 354 Temperature: 1.050000 Total energy: -198.686996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.686996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.686996 (E_RNA) where: Base-Base interactions energy: -129.101 where: short stacking energy: -56.843 Base-Backbone interact. energy: -0.028 local terms energy: -69.558087 where: bonds (distance) C4'-P energy: -14.797 bonds (distance) P-C4' energy: -15.653 flat angles C4'-P-C4' energy: -13.854 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: -16.431 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 354 Temperature: 1.100000 Total energy: -183.430520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.430520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.430520 (E_RNA) where: Base-Base interactions energy: -125.337 where: short stacking energy: -50.740 Base-Backbone interact. energy: -0.187 local terms energy: -57.906305 where: bonds (distance) C4'-P energy: -14.176 bonds (distance) P-C4' energy: -11.842 flat angles C4'-P-C4' energy: -15.961 flat angles P-C4'-P energy: -4.952 tors. eta vs tors. theta energy: -10.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 354 Temperature: 1.150000 Total energy: -194.342707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.342707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.342707 (E_RNA) where: Base-Base interactions energy: -125.050 where: short stacking energy: -54.689 Base-Backbone interact. energy: -0.280 local terms energy: -69.012667 where: bonds (distance) C4'-P energy: -12.577 bonds (distance) P-C4' energy: -12.927 flat angles C4'-P-C4' energy: -15.933 flat angles P-C4'-P energy: -10.346 tors. eta vs tors. theta energy: -17.230 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 354 Temperature: 1.200000 Total energy: -175.677858 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.677858 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.677858 (E_RNA) where: Base-Base interactions energy: -120.678 where: short stacking energy: -55.921 Base-Backbone interact. energy: -0.104 local terms energy: -54.895214 where: bonds (distance) C4'-P energy: -10.700 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -11.918 flat angles P-C4'-P energy: -8.275 tors. eta vs tors. theta energy: -10.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 354 Temperature: 1.250000 Total energy: -76.158142 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.158142 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.158142 (E_RNA) where: Base-Base interactions energy: -31.308 where: short stacking energy: -17.785 Base-Backbone interact. energy: -1.440 local terms energy: -43.410473 where: bonds (distance) C4'-P energy: -10.219 bonds (distance) P-C4' energy: -14.337 flat angles C4'-P-C4' energy: -8.594 flat angles P-C4'-P energy: -10.252 tors. eta vs tors. theta energy: -0.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 354 Temperature: 1.300000 Total energy: -71.019459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.019459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.019459 (E_RNA) where: Base-Base interactions energy: -26.804 where: short stacking energy: -15.765 Base-Backbone interact. energy: -0.321 local terms energy: -43.894574 where: bonds (distance) C4'-P energy: -9.092 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -11.686 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 354 Temperature: 1.350000 Total energy: -65.982449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.982449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.982449 (E_RNA) where: Base-Base interactions energy: -19.170 where: short stacking energy: -15.697 Base-Backbone interact. energy: -0.179 local terms energy: -46.633429 where: bonds (distance) C4'-P energy: -13.799 bonds (distance) P-C4' energy: -12.007 flat angles C4'-P-C4' energy: -11.566 flat angles P-C4'-P energy: -7.985 tors. eta vs tors. theta energy: -1.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 355 Temperature: 0.900000 Total energy: -204.358574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.358574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.358574 (E_RNA) where: Base-Base interactions energy: -135.194 where: short stacking energy: -60.709 Base-Backbone interact. energy: -0.011 local terms energy: -69.153053 where: bonds (distance) C4'-P energy: -16.701 bonds (distance) P-C4' energy: -14.078 flat angles C4'-P-C4' energy: -13.848 flat angles P-C4'-P energy: -11.144 tors. eta vs tors. theta energy: -13.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 355 Temperature: 0.950000 Total energy: -207.314607 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.314607 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.314607 (E_RNA) where: Base-Base interactions energy: -137.462 where: short stacking energy: -58.398 Base-Backbone interact. energy: -0.003 local terms energy: -69.848873 where: bonds (distance) C4'-P energy: -12.216 bonds (distance) P-C4' energy: -16.439 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -8.411 tors. eta vs tors. theta energy: -19.305 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: 6 ===================================== Write number: 355 Temperature: 1.000000 Total energy: -199.818998 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.818998 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.818998 (E_RNA) where: Base-Base interactions energy: -133.532 where: short stacking energy: -63.945 Base-Backbone interact. energy: -0.008 local terms energy: -66.279250 where: bonds (distance) C4'-P energy: -11.704 bonds (distance) P-C4' energy: -11.691 flat angles C4'-P-C4' energy: -13.246 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -18.792 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: 9 ===================================== Write number: 355 Temperature: 1.050000 Total energy: -195.369046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.369046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.369046 (E_RNA) where: Base-Base interactions energy: -130.546 where: short stacking energy: -65.663 Base-Backbone interact. energy: -0.472 local terms energy: -64.351236 where: bonds (distance) C4'-P energy: -14.850 bonds (distance) P-C4' energy: -8.272 flat angles C4'-P-C4' energy: -14.729 flat angles P-C4'-P energy: -12.064 tors. eta vs tors. theta energy: -14.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 355 Temperature: 1.100000 Total energy: -174.983080 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.983080 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.983080 (E_RNA) where: Base-Base interactions energy: -112.111 where: short stacking energy: -54.658 Base-Backbone interact. energy: -0.403 local terms energy: -62.468530 where: bonds (distance) C4'-P energy: -10.670 bonds (distance) P-C4' energy: -15.022 flat angles C4'-P-C4' energy: -12.499 flat angles P-C4'-P energy: -8.827 tors. eta vs tors. theta energy: -15.451 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: 5 ===================================== Write number: 355 Temperature: 1.150000 Total energy: -173.945322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.945322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.945322 (E_RNA) where: Base-Base interactions energy: -117.265 where: short stacking energy: -53.577 Base-Backbone interact. energy: -0.036 local terms energy: -56.645209 where: bonds (distance) C4'-P energy: -4.828 bonds (distance) P-C4' energy: -14.166 flat angles C4'-P-C4' energy: -15.270 flat angles P-C4'-P energy: -5.091 tors. eta vs tors. theta energy: -17.291 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 355 Temperature: 1.200000 Total energy: -168.538500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.538500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.538500 (E_RNA) where: Base-Base interactions energy: -107.597 where: short stacking energy: -46.381 Base-Backbone interact. energy: -0.291 local terms energy: -60.650281 where: bonds (distance) C4'-P energy: -12.992 bonds (distance) P-C4' energy: -10.883 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -11.606 tors. eta vs tors. theta energy: -13.720 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: 7 ===================================== Write number: 355 Temperature: 1.250000 Total energy: -85.003017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.003017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.003017 (E_RNA) where: Base-Base interactions energy: -29.792 where: short stacking energy: -24.315 Base-Backbone interact. energy: -0.197 local terms energy: -55.014509 where: bonds (distance) C4'-P energy: -12.975 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -13.950 flat angles P-C4'-P energy: -10.400 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: 3 ===================================== Write number: 355 Temperature: 1.300000 Total energy: -81.282070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.282070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.282070 (E_RNA) where: Base-Base interactions energy: -33.803 where: short stacking energy: -33.148 Base-Backbone interact. energy: -0.056 local terms energy: -47.423272 where: bonds (distance) C4'-P energy: -9.489 bonds (distance) P-C4' energy: -11.396 flat angles C4'-P-C4' energy: -10.675 flat angles P-C4'-P energy: -6.742 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: 10, replica: 8 ===================================== Write number: 355 Temperature: 1.350000 Total energy: -64.327628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -64.327628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -64.327628 (E_RNA) where: Base-Base interactions energy: -18.063 where: short stacking energy: -18.063 Base-Backbone interact. energy: -0.168 local terms energy: -46.096428 where: bonds (distance) C4'-P energy: -11.424 bonds (distance) P-C4' energy: -13.099 flat angles C4'-P-C4' energy: -11.295 flat angles P-C4'-P energy: -5.773 tors. eta vs tors. theta energy: -4.506 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 356 Temperature: 0.900000 Total energy: -205.773400 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.773400 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.773400 (E_RNA) where: Base-Base interactions energy: -130.631 where: short stacking energy: -65.470 Base-Backbone interact. energy: -2.072 local terms energy: -73.070068 where: bonds (distance) C4'-P energy: -12.801 bonds (distance) P-C4' energy: -15.194 flat angles C4'-P-C4' energy: -15.722 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -19.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 356 Temperature: 0.950000 Total energy: -204.433327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.433327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.433327 (E_RNA) where: Base-Base interactions energy: -136.309 where: short stacking energy: -59.685 Base-Backbone interact. energy: -0.157 local terms energy: -67.967658 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -16.629 flat angles C4'-P-C4' energy: -11.784 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -16.428 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 356 Temperature: 1.000000 Total energy: -208.957512 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.957512 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.957512 (E_RNA) where: Base-Base interactions energy: -138.186 where: short stacking energy: -62.601 Base-Backbone interact. energy: -0.002 local terms energy: -70.769836 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -13.808 flat angles C4'-P-C4' energy: -14.045 flat angles P-C4'-P energy: -11.061 tors. eta vs tors. theta energy: -18.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 356 Temperature: 1.050000 Total energy: -201.117074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.117074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.117074 (E_RNA) where: Base-Base interactions energy: -137.813 where: short stacking energy: -62.113 Base-Backbone interact. energy: -0.005 local terms energy: -63.299298 where: bonds (distance) C4'-P energy: -9.916 bonds (distance) P-C4' energy: -12.063 flat angles C4'-P-C4' energy: -12.403 flat angles P-C4'-P energy: -11.112 tors. eta vs tors. theta energy: -17.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 356 Temperature: 1.100000 Total energy: -187.180130 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.180130 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.180130 (E_RNA) where: Base-Base interactions energy: -128.622 where: short stacking energy: -52.041 Base-Backbone interact. energy: -0.101 local terms energy: -58.456521 where: bonds (distance) C4'-P energy: -10.971 bonds (distance) P-C4' energy: -9.553 flat angles C4'-P-C4' energy: -13.913 flat angles P-C4'-P energy: -8.950 tors. eta vs tors. theta energy: -15.070 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 356 Temperature: 1.150000 Total energy: -169.825178 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.825178 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.825178 (E_RNA) where: Base-Base interactions energy: -118.770 where: short stacking energy: -48.972 Base-Backbone interact. energy: -0.104 local terms energy: -50.951060 where: bonds (distance) C4'-P energy: -8.611 bonds (distance) P-C4' energy: -9.058 flat angles C4'-P-C4' energy: -13.936 flat angles P-C4'-P energy: -7.016 tors. eta vs tors. theta energy: -12.329 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: 10 ===================================== Write number: 356 Temperature: 1.200000 Total energy: -165.464760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.464760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.464760 (E_RNA) where: Base-Base interactions energy: -108.814 where: short stacking energy: -49.627 Base-Backbone interact. energy: -0.978 local terms energy: -55.672335 where: bonds (distance) C4'-P energy: -10.234 bonds (distance) P-C4' energy: -12.364 flat angles C4'-P-C4' energy: -13.125 flat angles P-C4'-P energy: -10.713 tors. eta vs tors. theta energy: -9.238 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 356 Temperature: 1.250000 Total energy: -90.122185 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.122185 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.122185 (E_RNA) where: Base-Base interactions energy: -40.600 where: short stacking energy: -25.758 Base-Backbone interact. energy: 0.009 local terms energy: -49.531301 where: bonds (distance) C4'-P energy: -12.951 bonds (distance) P-C4' energy: -15.850 flat angles C4'-P-C4' energy: -14.366 flat angles P-C4'-P energy: -7.087 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: 9, replica: 8 ===================================== Write number: 356 Temperature: 1.300000 Total energy: -72.947691 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.947691 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.947691 (E_RNA) where: Base-Base interactions energy: -27.455 where: short stacking energy: -13.270 Base-Backbone interact. energy: -0.608 local terms energy: -44.884116 where: bonds (distance) C4'-P energy: -10.089 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -12.187 flat angles P-C4'-P energy: -8.832 tors. eta vs tors. theta energy: 0.895 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 356 Temperature: 1.350000 Total energy: -69.142444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.142444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.142444 (E_RNA) where: Base-Base interactions energy: -24.391 where: short stacking energy: -24.391 Base-Backbone interact. energy: -0.056 local terms energy: -44.695664 where: bonds (distance) C4'-P energy: -14.512 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -10.679 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: 1.548 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 357 Temperature: 0.900000 Total energy: -205.993881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.993881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.993881 (E_RNA) where: Base-Base interactions energy: -141.021 where: short stacking energy: -58.528 Base-Backbone interact. energy: -0.121 local terms energy: -64.851694 where: bonds (distance) C4'-P energy: -11.157 bonds (distance) P-C4' energy: -13.764 flat angles C4'-P-C4' energy: -14.405 flat angles P-C4'-P energy: -7.705 tors. eta vs tors. theta energy: -17.820 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: 4 ===================================== Write number: 357 Temperature: 0.950000 Total energy: -203.627745 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.627745 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.627745 (E_RNA) where: Base-Base interactions energy: -136.386 where: short stacking energy: -57.858 Base-Backbone interact. energy: -0.008 local terms energy: -67.233637 where: bonds (distance) C4'-P energy: -10.264 bonds (distance) P-C4' energy: -13.029 flat angles C4'-P-C4' energy: -15.083 flat angles P-C4'-P energy: -10.972 tors. eta vs tors. theta energy: -17.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 357 Temperature: 1.000000 Total energy: -203.407658 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.407658 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.407658 (E_RNA) where: Base-Base interactions energy: -137.565 where: short stacking energy: -62.217 Base-Backbone interact. energy: -0.101 local terms energy: -65.741867 where: bonds (distance) C4'-P energy: -11.139 bonds (distance) P-C4' energy: -12.978 flat angles C4'-P-C4' energy: -13.416 flat angles P-C4'-P energy: -10.676 tors. eta vs tors. theta energy: -17.533 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 357 Temperature: 1.050000 Total energy: -198.967947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.967947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.967947 (E_RNA) where: Base-Base interactions energy: -131.129 where: short stacking energy: -60.896 Base-Backbone interact. energy: -0.283 local terms energy: -67.555626 where: bonds (distance) C4'-P energy: -10.243 bonds (distance) P-C4' energy: -15.368 flat angles C4'-P-C4' energy: -14.805 flat angles P-C4'-P energy: -10.817 tors. eta vs tors. theta energy: -16.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 357 Temperature: 1.100000 Total energy: -191.824235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.824235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.824235 (E_RNA) where: Base-Base interactions energy: -126.827 where: short stacking energy: -60.359 Base-Backbone interact. energy: -0.020 local terms energy: -64.977308 where: bonds (distance) C4'-P energy: -12.441 bonds (distance) P-C4' energy: -13.077 flat angles C4'-P-C4' energy: -13.941 flat angles P-C4'-P energy: -9.889 tors. eta vs tors. theta energy: -15.629 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: 10 ===================================== Write number: 357 Temperature: 1.150000 Total energy: -183.223297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.223297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.223297 (E_RNA) where: Base-Base interactions energy: -120.587 where: short stacking energy: -52.930 Base-Backbone interact. energy: -0.412 local terms energy: -62.224463 where: bonds (distance) C4'-P energy: -11.385 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -13.083 flat angles P-C4'-P energy: -11.339 tors. eta vs tors. theta energy: -11.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 357 Temperature: 1.200000 Total energy: -195.841004 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.841004 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.841004 (E_RNA) where: Base-Base interactions energy: -132.681 where: short stacking energy: -61.359 Base-Backbone interact. energy: 0.430 local terms energy: -63.590492 where: bonds (distance) C4'-P energy: -12.763 bonds (distance) P-C4' energy: -15.717 flat angles C4'-P-C4' energy: -9.846 flat angles P-C4'-P energy: -7.025 tors. eta vs tors. theta energy: -18.239 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 357 Temperature: 1.250000 Total energy: -97.786002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.786002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.786002 (E_RNA) where: Base-Base interactions energy: -48.580 where: short stacking energy: -31.654 Base-Backbone interact. energy: -0.161 local terms energy: -49.045058 where: bonds (distance) C4'-P energy: -9.950 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -9.186 flat angles P-C4'-P energy: -8.634 tors. eta vs tors. theta energy: -6.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 357 Temperature: 1.300000 Total energy: -74.747617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.747617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.747617 (E_RNA) where: Base-Base interactions energy: -24.229 where: short stacking energy: -23.010 Base-Backbone interact. energy: -0.273 local terms energy: -50.245662 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -13.579 flat angles C4'-P-C4' energy: -12.032 flat angles P-C4'-P energy: -8.989 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 357 Temperature: 1.350000 Total energy: -77.442749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.442749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.442749 (E_RNA) where: Base-Base interactions energy: -36.468 where: short stacking energy: -24.111 Base-Backbone interact. energy: 0.481 local terms energy: -41.456422 where: bonds (distance) C4'-P energy: -9.668 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -9.830 flat angles P-C4'-P energy: -4.946 tors. eta vs tors. theta energy: -3.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 358 Temperature: 0.900000 Total energy: -209.392137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.392137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.392137 (E_RNA) where: Base-Base interactions energy: -135.779 where: short stacking energy: -68.614 Base-Backbone interact. energy: -0.030 local terms energy: -73.583363 where: bonds (distance) C4'-P energy: -13.932 bonds (distance) P-C4' energy: -15.604 flat angles C4'-P-C4' energy: -14.025 flat angles P-C4'-P energy: -10.353 tors. eta vs tors. theta energy: -19.669 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 358 Temperature: 0.950000 Total energy: -211.401917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.401917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.401917 (E_RNA) where: Base-Base interactions energy: -141.561 where: short stacking energy: -66.245 Base-Backbone interact. energy: -0.031 local terms energy: -69.809303 where: bonds (distance) C4'-P energy: -14.354 bonds (distance) P-C4' energy: -12.887 flat angles C4'-P-C4' energy: -14.160 flat angles P-C4'-P energy: -9.140 tors. eta vs tors. theta energy: -19.268 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 358 Temperature: 1.000000 Total energy: -206.098447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.098447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.098447 (E_RNA) where: Base-Base interactions energy: -137.742 where: short stacking energy: -62.078 Base-Backbone interact. energy: -0.000 local terms energy: -68.356496 where: bonds (distance) C4'-P energy: -14.369 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -10.659 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -17.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 358 Temperature: 1.050000 Total energy: -191.023991 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.023991 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.023991 (E_RNA) where: Base-Base interactions energy: -124.705 where: short stacking energy: -57.498 Base-Backbone interact. energy: -0.077 local terms energy: -66.241863 where: bonds (distance) C4'-P energy: -11.721 bonds (distance) P-C4' energy: -16.580 flat angles C4'-P-C4' energy: -12.143 flat angles P-C4'-P energy: -8.948 tors. eta vs tors. theta energy: -16.850 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: 10 ===================================== Write number: 358 Temperature: 1.100000 Total energy: -178.064262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.064262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.064262 (E_RNA) where: Base-Base interactions energy: -114.458 where: short stacking energy: -53.717 Base-Backbone interact. energy: -0.006 local terms energy: -63.600017 where: bonds (distance) C4'-P energy: -13.877 bonds (distance) P-C4' energy: -15.174 flat angles C4'-P-C4' energy: -13.720 flat angles P-C4'-P energy: -9.734 tors. eta vs tors. theta energy: -11.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 358 Temperature: 1.150000 Total energy: -176.182070 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.182070 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.182070 (E_RNA) where: Base-Base interactions energy: -118.514 where: short stacking energy: -53.188 Base-Backbone interact. energy: -0.383 local terms energy: -57.284990 where: bonds (distance) C4'-P energy: -9.991 bonds (distance) P-C4' energy: -12.002 flat angles C4'-P-C4' energy: -13.024 flat angles P-C4'-P energy: -9.243 tors. eta vs tors. theta energy: -13.024 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: 2 ===================================== Write number: 358 Temperature: 1.200000 Total energy: -186.502683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.502683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.502683 (E_RNA) where: Base-Base interactions energy: -119.263 where: short stacking energy: -60.472 Base-Backbone interact. energy: -0.002 local terms energy: -67.237350 where: bonds (distance) C4'-P energy: -10.133 bonds (distance) P-C4' energy: -15.898 flat angles C4'-P-C4' energy: -13.833 flat angles P-C4'-P energy: -10.177 tors. eta vs tors. theta energy: -17.196 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 358 Temperature: 1.250000 Total energy: -85.526369 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.526369 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.526369 (E_RNA) where: Base-Base interactions energy: -30.310 where: short stacking energy: -30.042 Base-Backbone interact. energy: -0.030 local terms energy: -55.185673 where: bonds (distance) C4'-P energy: -14.375 bonds (distance) P-C4' energy: -10.595 flat angles C4'-P-C4' energy: -11.870 flat angles P-C4'-P energy: -12.090 tors. eta vs tors. theta energy: -6.256 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 358 Temperature: 1.300000 Total energy: -78.961293 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.961293 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.961293 (E_RNA) where: Base-Base interactions energy: -37.399 where: short stacking energy: -25.566 Base-Backbone interact. energy: -0.306 local terms energy: -41.256374 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -9.411 flat angles P-C4'-P energy: -4.584 tors. eta vs tors. theta energy: 1.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 358 Temperature: 1.350000 Total energy: -67.484304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.484304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.484304 (E_RNA) where: Base-Base interactions energy: -26.298 where: short stacking energy: -17.626 Base-Backbone interact. energy: 0.572 local terms energy: -41.758950 where: bonds (distance) C4'-P energy: -12.746 bonds (distance) P-C4' energy: -13.350 flat angles C4'-P-C4' energy: -8.902 flat angles P-C4'-P energy: -7.204 tors. eta vs tors. theta energy: 0.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 359 Temperature: 0.900000 Total energy: -210.920879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.920879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.920879 (E_RNA) where: Base-Base interactions energy: -134.404 where: short stacking energy: -64.805 Base-Backbone interact. energy: -0.001 local terms energy: -76.516356 where: bonds (distance) C4'-P energy: -15.699 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -15.804 flat angles P-C4'-P energy: -11.945 tors. eta vs tors. theta energy: -17.994 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: 9 ===================================== Write number: 359 Temperature: 0.950000 Total energy: -208.143204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.143204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.143204 (E_RNA) where: Base-Base interactions energy: -139.081 where: short stacking energy: -68.872 Base-Backbone interact. energy: -0.002 local terms energy: -69.060375 where: bonds (distance) C4'-P energy: -9.926 bonds (distance) P-C4' energy: -13.505 flat angles C4'-P-C4' energy: -12.753 flat angles P-C4'-P energy: -10.894 tors. eta vs tors. theta energy: -21.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 359 Temperature: 1.000000 Total energy: -202.432617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.432617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.432617 (E_RNA) where: Base-Base interactions energy: -131.615 where: short stacking energy: -58.975 Base-Backbone interact. energy: -0.131 local terms energy: -70.687243 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -14.275 flat angles C4'-P-C4' energy: -15.494 flat angles P-C4'-P energy: -10.444 tors. eta vs tors. theta energy: -19.093 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 359 Temperature: 1.050000 Total energy: -203.260114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.260114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.260114 (E_RNA) where: Base-Base interactions energy: -143.656 where: short stacking energy: -61.984 Base-Backbone interact. energy: -0.012 local terms energy: -59.592192 where: bonds (distance) C4'-P energy: -12.614 bonds (distance) P-C4' energy: -8.546 flat angles C4'-P-C4' energy: -12.062 flat angles P-C4'-P energy: -9.873 tors. eta vs tors. theta energy: -16.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 359 Temperature: 1.100000 Total energy: -184.443967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.443967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.443967 (E_RNA) where: Base-Base interactions energy: -125.309 where: short stacking energy: -56.613 Base-Backbone interact. energy: 0.017 local terms energy: -59.152206 where: bonds (distance) C4'-P energy: -12.881 bonds (distance) P-C4' energy: -15.601 flat angles C4'-P-C4' energy: -13.336 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -11.775 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 359 Temperature: 1.150000 Total energy: -185.484125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.484125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.484125 (E_RNA) where: Base-Base interactions energy: -121.674 where: short stacking energy: -62.122 Base-Backbone interact. energy: -0.056 local terms energy: -63.754603 where: bonds (distance) C4'-P energy: -8.660 bonds (distance) P-C4' energy: -15.417 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -8.382 tors. eta vs tors. theta energy: -17.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 359 Temperature: 1.200000 Total energy: -179.596929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.596929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.596929 (E_RNA) where: Base-Base interactions energy: -112.172 where: short stacking energy: -56.247 Base-Backbone interact. energy: -0.093 local terms energy: -67.332290 where: bonds (distance) C4'-P energy: -13.426 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -15.068 flat angles P-C4'-P energy: -10.815 tors. eta vs tors. theta energy: -12.684 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 359 Temperature: 1.250000 Total energy: -77.220093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.220093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.220093 (E_RNA) where: Base-Base interactions energy: -33.980 where: short stacking energy: -33.980 Base-Backbone interact. energy: -0.101 local terms energy: -43.138703 where: bonds (distance) C4'-P energy: -10.395 bonds (distance) P-C4' energy: -10.675 flat angles C4'-P-C4' energy: -11.301 flat angles P-C4'-P energy: -8.188 tors. eta vs tors. theta energy: -2.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 359 Temperature: 1.300000 Total energy: -86.247196 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.247196 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.247196 (E_RNA) where: Base-Base interactions energy: -30.365 where: short stacking energy: -28.499 Base-Backbone interact. energy: -0.272 local terms energy: -55.610300 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -14.805 flat angles C4'-P-C4' energy: -9.891 flat angles P-C4'-P energy: -9.814 tors. eta vs tors. theta energy: -7.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 359 Temperature: 1.350000 Total energy: -80.814936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.814936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.814936 (E_RNA) where: Base-Base interactions energy: -24.089 where: short stacking energy: -20.006 Base-Backbone interact. energy: -0.245 local terms energy: -56.481042 where: bonds (distance) C4'-P energy: -12.755 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -15.962 flat angles P-C4'-P energy: -10.207 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: 9 ===================================== Write number: 360 Temperature: 0.900000 Total energy: -210.781750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.781750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.781750 (E_RNA) where: Base-Base interactions energy: -139.625 where: short stacking energy: -67.965 Base-Backbone interact. energy: -0.001 local terms energy: -71.155601 where: bonds (distance) C4'-P energy: -13.398 bonds (distance) P-C4' energy: -11.768 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -12.561 tors. eta vs tors. theta energy: -19.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 360 Temperature: 0.950000 Total energy: -204.659272 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.659272 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.659272 (E_RNA) where: Base-Base interactions energy: -139.437 where: short stacking energy: -61.862 Base-Backbone interact. energy: -0.033 local terms energy: -65.189413 where: bonds (distance) C4'-P energy: -7.556 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -14.368 flat angles P-C4'-P energy: -9.798 tors. eta vs tors. theta energy: -17.508 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: 3, replica: 10 ===================================== Write number: 360 Temperature: 1.000000 Total energy: -206.566568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.566568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.566568 (E_RNA) where: Base-Base interactions energy: -143.624 where: short stacking energy: -68.600 Base-Backbone interact. energy: -0.041 local terms energy: -62.901520 where: bonds (distance) C4'-P energy: -8.442 bonds (distance) P-C4' energy: -15.635 flat angles C4'-P-C4' energy: -13.612 flat angles P-C4'-P energy: -3.890 tors. eta vs tors. theta energy: -21.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 360 Temperature: 1.050000 Total energy: -208.810421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.810421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.810421 (E_RNA) where: Base-Base interactions energy: -140.517 where: short stacking energy: -69.316 Base-Backbone interact. energy: -0.126 local terms energy: -68.166827 where: bonds (distance) C4'-P energy: -12.334 bonds (distance) P-C4' energy: -12.752 flat angles C4'-P-C4' energy: -15.247 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -17.501 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 360 Temperature: 1.100000 Total energy: -183.254046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.254046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.254046 (E_RNA) where: Base-Base interactions energy: -120.831 where: short stacking energy: -50.263 Base-Backbone interact. energy: -0.022 local terms energy: -62.401303 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -13.421 flat angles P-C4'-P energy: -10.570 tors. eta vs tors. theta energy: -11.732 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 360 Temperature: 1.150000 Total energy: -192.340750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.340750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.340750 (E_RNA) where: Base-Base interactions energy: -124.378 where: short stacking energy: -60.765 Base-Backbone interact. energy: -0.128 local terms energy: -67.835360 where: bonds (distance) C4'-P energy: -8.864 bonds (distance) P-C4' energy: -14.942 flat angles C4'-P-C4' energy: -15.809 flat angles P-C4'-P energy: -7.846 tors. eta vs tors. theta energy: -20.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 360 Temperature: 1.200000 Total energy: -173.206522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.206522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.206522 (E_RNA) where: Base-Base interactions energy: -116.414 where: short stacking energy: -53.120 Base-Backbone interact. energy: -0.378 local terms energy: -56.414607 where: bonds (distance) C4'-P energy: -7.974 bonds (distance) P-C4' energy: -6.727 flat angles C4'-P-C4' energy: -14.361 flat angles P-C4'-P energy: -12.000 tors. eta vs tors. theta energy: -15.352 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: 3 ===================================== Write number: 360 Temperature: 1.250000 Total energy: -75.429753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.429753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.429753 (E_RNA) where: Base-Base interactions energy: -28.180 where: short stacking energy: -28.180 Base-Backbone interact. energy: 0.463 local terms energy: -47.712627 where: bonds (distance) C4'-P energy: -14.135 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -8.779 flat angles P-C4'-P energy: -7.291 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: 9, replica: 8 ===================================== Write number: 360 Temperature: 1.300000 Total energy: -79.647588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.647588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.647588 (E_RNA) where: Base-Base interactions energy: -32.115 where: short stacking energy: -30.371 Base-Backbone interact. energy: -0.085 local terms energy: -47.447258 where: bonds (distance) C4'-P energy: -9.737 bonds (distance) P-C4' energy: -10.402 flat angles C4'-P-C4' energy: -12.481 flat angles P-C4'-P energy: -9.166 tors. eta vs tors. theta energy: -5.661 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 360 Temperature: 1.350000 Total energy: -73.734447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.734447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.734447 (E_RNA) where: Base-Base interactions energy: -19.736 where: short stacking energy: -16.731 Base-Backbone interact. energy: -0.078 local terms energy: -53.920862 where: bonds (distance) C4'-P energy: -13.138 bonds (distance) P-C4' energy: -14.353 flat angles C4'-P-C4' energy: -14.679 flat angles P-C4'-P energy: -10.843 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: 1, replica: 9 ===================================== Write number: 361 Temperature: 0.900000 Total energy: -213.097405 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.097405 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.097405 (E_RNA) where: Base-Base interactions energy: -141.452 where: short stacking energy: -66.651 Base-Backbone interact. energy: -0.002 local terms energy: -71.643355 where: bonds (distance) C4'-P energy: -13.824 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -12.105 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -20.160 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 361 Temperature: 0.950000 Total energy: -200.423756 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.423756 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.423756 (E_RNA) where: Base-Base interactions energy: -129.942 where: short stacking energy: -66.563 Base-Backbone interact. energy: -0.370 local terms energy: -70.112233 where: bonds (distance) C4'-P energy: -15.136 bonds (distance) P-C4' energy: -11.295 flat angles C4'-P-C4' energy: -14.403 flat angles P-C4'-P energy: -11.392 tors. eta vs tors. theta energy: -17.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 361 Temperature: 1.000000 Total energy: -199.141744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.141744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.141744 (E_RNA) where: Base-Base interactions energy: -132.622 where: short stacking energy: -59.409 Base-Backbone interact. energy: -0.019 local terms energy: -66.501034 where: bonds (distance) C4'-P energy: -12.994 bonds (distance) P-C4' energy: -15.610 flat angles C4'-P-C4' energy: -11.103 flat angles P-C4'-P energy: -9.256 tors. eta vs tors. theta energy: -17.538 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 361 Temperature: 1.050000 Total energy: -188.971270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.971270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.971270 (E_RNA) where: Base-Base interactions energy: -119.991 where: short stacking energy: -56.697 Base-Backbone interact. energy: -0.011 local terms energy: -68.968911 where: bonds (distance) C4'-P energy: -13.866 bonds (distance) P-C4' energy: -16.203 flat angles C4'-P-C4' energy: -12.779 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -16.014 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 361 Temperature: 1.100000 Total energy: -187.387141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.387141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.387141 (E_RNA) where: Base-Base interactions energy: -121.940 where: short stacking energy: -53.949 Base-Backbone interact. energy: -0.595 local terms energy: -64.852406 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -13.280 flat angles C4'-P-C4' energy: -12.556 flat angles P-C4'-P energy: -10.724 tors. eta vs tors. theta energy: -16.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 361 Temperature: 1.150000 Total energy: -183.834020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.834020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.834020 (E_RNA) where: Base-Base interactions energy: -121.956 where: short stacking energy: -46.104 Base-Backbone interact. energy: -0.083 local terms energy: -61.794999 where: bonds (distance) C4'-P energy: -11.182 bonds (distance) P-C4' energy: -11.119 flat angles C4'-P-C4' energy: -13.589 flat angles P-C4'-P energy: -12.926 tors. eta vs tors. theta energy: -12.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 361 Temperature: 1.200000 Total energy: -171.851886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.851886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.851886 (E_RNA) where: Base-Base interactions energy: -118.706 where: short stacking energy: -49.180 Base-Backbone interact. energy: -0.178 local terms energy: -52.967661 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -1.312 flat angles C4'-P-C4' energy: -14.694 flat angles P-C4'-P energy: -10.427 tors. eta vs tors. theta energy: -11.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 361 Temperature: 1.250000 Total energy: -85.532809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.532809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.532809 (E_RNA) where: Base-Base interactions energy: -41.340 where: short stacking energy: -27.304 Base-Backbone interact. energy: 1.246 local terms energy: -45.439338 where: bonds (distance) C4'-P energy: -10.260 bonds (distance) P-C4' energy: -10.498 flat angles C4'-P-C4' energy: -12.400 flat angles P-C4'-P energy: -6.054 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: 9, replica: 3 ===================================== Write number: 361 Temperature: 1.300000 Total energy: -75.777826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.777826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.777826 (E_RNA) where: Base-Base interactions energy: -34.331 where: short stacking energy: -34.331 Base-Backbone interact. energy: -0.010 local terms energy: -41.437126 where: bonds (distance) C4'-P energy: -13.510 bonds (distance) P-C4' energy: -11.503 flat angles C4'-P-C4' energy: -9.599 flat angles P-C4'-P energy: -6.403 tors. eta vs tors. theta energy: -0.421 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 361 Temperature: 1.350000 Total energy: -81.815897 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.815897 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.815897 (E_RNA) where: Base-Base interactions energy: -34.839 where: short stacking energy: -24.170 Base-Backbone interact. energy: -0.058 local terms energy: -46.918951 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -12.277 flat angles C4'-P-C4' energy: -13.086 flat angles P-C4'-P energy: -9.685 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: 10 ===================================== Write number: 362 Temperature: 0.900000 Total energy: -209.252473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.252473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.252473 (E_RNA) where: Base-Base interactions energy: -140.363 where: short stacking energy: -65.653 Base-Backbone interact. energy: -0.000 local terms energy: -68.889181 where: bonds (distance) C4'-P energy: -10.305 bonds (distance) P-C4' energy: -14.797 flat angles C4'-P-C4' energy: -13.122 flat angles P-C4'-P energy: -9.545 tors. eta vs tors. theta energy: -21.120 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 362 Temperature: 0.950000 Total energy: -199.927228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.927228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.927228 (E_RNA) where: Base-Base interactions energy: -135.468 where: short stacking energy: -55.739 Base-Backbone interact. energy: -0.015 local terms energy: -64.444306 where: bonds (distance) C4'-P energy: -10.872 bonds (distance) P-C4' energy: -15.287 flat angles C4'-P-C4' energy: -16.103 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -15.902 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: 2 ===================================== Write number: 362 Temperature: 1.000000 Total energy: -201.545951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.545951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.545951 (E_RNA) where: Base-Base interactions energy: -136.948 where: short stacking energy: -60.799 Base-Backbone interact. energy: -0.315 local terms energy: -64.283437 where: bonds (distance) C4'-P energy: -11.448 bonds (distance) P-C4' energy: -12.358 flat angles C4'-P-C4' energy: -12.818 flat angles P-C4'-P energy: -9.911 tors. eta vs tors. theta energy: -17.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 362 Temperature: 1.050000 Total energy: -187.944204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.944204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.944204 (E_RNA) where: Base-Base interactions energy: -114.880 where: short stacking energy: -58.120 Base-Backbone interact. energy: -0.017 local terms energy: -73.048075 where: bonds (distance) C4'-P energy: -15.252 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -12.959 flat angles P-C4'-P energy: -12.419 tors. eta vs tors. theta energy: -17.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 362 Temperature: 1.100000 Total energy: -185.006487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.006487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.006487 (E_RNA) where: Base-Base interactions energy: -123.829 where: short stacking energy: -60.941 Base-Backbone interact. energy: -0.031 local terms energy: -61.147034 where: bonds (distance) C4'-P energy: -13.584 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -12.823 flat angles P-C4'-P energy: -5.191 tors. eta vs tors. theta energy: -14.424 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: 1 ===================================== Write number: 362 Temperature: 1.150000 Total energy: -179.186081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.186081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.186081 (E_RNA) where: Base-Base interactions energy: -121.039 where: short stacking energy: -54.334 Base-Backbone interact. energy: -0.027 local terms energy: -58.119616 where: bonds (distance) C4'-P energy: -14.258 bonds (distance) P-C4' energy: -9.654 flat angles C4'-P-C4' energy: -13.535 flat angles P-C4'-P energy: -5.477 tors. eta vs tors. theta energy: -15.195 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: 6 ===================================== Write number: 362 Temperature: 1.200000 Total energy: -179.410901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.410901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.410901 (E_RNA) where: Base-Base interactions energy: -125.526 where: short stacking energy: -51.300 Base-Backbone interact. energy: -0.184 local terms energy: -53.700228 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -14.739 flat angles C4'-P-C4' energy: -10.027 flat angles P-C4'-P energy: -8.261 tors. eta vs tors. theta energy: -11.321 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: 8, replica: 8 ===================================== Write number: 362 Temperature: 1.250000 Total energy: -73.675988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.675988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.675988 (E_RNA) where: Base-Base interactions energy: -28.446 where: short stacking energy: -23.648 Base-Backbone interact. energy: -0.127 local terms energy: -45.102888 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -14.131 flat angles C4'-P-C4' energy: -10.556 flat angles P-C4'-P energy: -6.508 tors. eta vs tors. theta energy: -2.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 362 Temperature: 1.300000 Total energy: -79.121992 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.121992 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.121992 (E_RNA) where: Base-Base interactions energy: -27.724 where: short stacking energy: -27.724 Base-Backbone interact. energy: -0.078 local terms energy: -51.320197 where: bonds (distance) C4'-P energy: -11.630 bonds (distance) P-C4' energy: -11.272 flat angles C4'-P-C4' energy: -11.040 flat angles P-C4'-P energy: -10.936 tors. eta vs tors. theta energy: -6.443 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 362 Temperature: 1.350000 Total energy: -71.202610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.202610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.202610 (E_RNA) where: Base-Base interactions energy: -19.652 where: short stacking energy: -19.652 Base-Backbone interact. energy: -0.286 local terms energy: -51.264087 where: bonds (distance) C4'-P energy: -9.651 bonds (distance) P-C4' energy: -12.726 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -11.894 tors. eta vs tors. theta energy: -2.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 363 Temperature: 0.900000 Total energy: -209.636552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.636552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.636552 (E_RNA) where: Base-Base interactions energy: -141.684 where: short stacking energy: -62.307 Base-Backbone interact. energy: -0.000 local terms energy: -67.951606 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -15.598 flat angles C4'-P-C4' energy: -15.255 flat angles P-C4'-P energy: -9.222 tors. eta vs tors. theta energy: -14.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 363 Temperature: 0.950000 Total energy: -196.933688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.933688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.933688 (E_RNA) where: Base-Base interactions energy: -130.962 where: short stacking energy: -63.209 Base-Backbone interact. energy: -0.004 local terms energy: -65.968054 where: bonds (distance) C4'-P energy: -11.390 bonds (distance) P-C4' energy: -13.458 flat angles C4'-P-C4' energy: -12.398 flat angles P-C4'-P energy: -13.103 tors. eta vs tors. theta energy: -15.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 363 Temperature: 1.000000 Total energy: -200.300694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.300694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.300694 (E_RNA) where: Base-Base interactions energy: -136.206 where: short stacking energy: -61.848 Base-Backbone interact. energy: -0.038 local terms energy: -64.056479 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -13.372 flat angles P-C4'-P energy: -7.641 tors. eta vs tors. theta energy: -15.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 363 Temperature: 1.050000 Total energy: -187.865311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.865311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.865311 (E_RNA) where: Base-Base interactions energy: -122.432 where: short stacking energy: -57.883 Base-Backbone interact. energy: -0.226 local terms energy: -65.207836 where: bonds (distance) C4'-P energy: -14.133 bonds (distance) P-C4' energy: -13.831 flat angles C4'-P-C4' energy: -11.872 flat angles P-C4'-P energy: -10.532 tors. eta vs tors. theta energy: -14.840 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: 5 ===================================== Write number: 363 Temperature: 1.100000 Total energy: -188.514037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.514037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.514037 (E_RNA) where: Base-Base interactions energy: -120.541 where: short stacking energy: -56.804 Base-Backbone interact. energy: -0.171 local terms energy: -67.802071 where: bonds (distance) C4'-P energy: -12.287 bonds (distance) P-C4' energy: -15.837 flat angles C4'-P-C4' energy: -13.826 flat angles P-C4'-P energy: -10.230 tors. eta vs tors. theta energy: -15.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 363 Temperature: 1.150000 Total energy: -191.270520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.270520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.270520 (E_RNA) where: Base-Base interactions energy: -125.295 where: short stacking energy: -59.375 Base-Backbone interact. energy: -0.013 local terms energy: -65.962142 where: bonds (distance) C4'-P energy: -13.217 bonds (distance) P-C4' energy: -13.883 flat angles C4'-P-C4' energy: -14.212 flat angles P-C4'-P energy: -7.081 tors. eta vs tors. theta energy: -17.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 363 Temperature: 1.200000 Total energy: -178.452033 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.452033 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.452033 (E_RNA) where: Base-Base interactions energy: -112.385 where: short stacking energy: -47.741 Base-Backbone interact. energy: -0.891 local terms energy: -65.176575 where: bonds (distance) C4'-P energy: -11.853 bonds (distance) P-C4' energy: -12.541 flat angles C4'-P-C4' energy: -16.466 flat angles P-C4'-P energy: -9.697 tors. eta vs tors. theta energy: -14.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 363 Temperature: 1.250000 Total energy: -81.033665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.033665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.033665 (E_RNA) where: Base-Base interactions energy: -29.703 where: short stacking energy: -29.703 Base-Backbone interact. energy: -0.001 local terms energy: -51.329789 where: bonds (distance) C4'-P energy: -12.346 bonds (distance) P-C4' energy: -13.847 flat angles C4'-P-C4' energy: -10.609 flat angles P-C4'-P energy: -7.343 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: 9, replica: 8 ===================================== Write number: 363 Temperature: 1.300000 Total energy: -75.376234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.376234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.376234 (E_RNA) where: Base-Base interactions energy: -27.046 where: short stacking energy: -27.046 Base-Backbone interact. energy: -0.113 local terms energy: -48.217201 where: bonds (distance) C4'-P energy: -9.241 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -11.495 flat angles P-C4'-P energy: -9.322 tors. eta vs tors. theta energy: -3.785 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 363 Temperature: 1.350000 Total energy: -75.381872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.381872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.381872 (E_RNA) where: Base-Base interactions energy: -26.258 where: short stacking energy: -26.258 Base-Backbone interact. energy: -0.123 local terms energy: -49.001008 where: bonds (distance) C4'-P energy: -14.573 bonds (distance) P-C4' energy: -13.620 flat angles C4'-P-C4' energy: -10.026 flat angles P-C4'-P energy: -1.708 tors. eta vs tors. theta energy: -9.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 364 Temperature: 0.900000 Total energy: -205.097767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.097767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.097767 (E_RNA) where: Base-Base interactions energy: -136.532 where: short stacking energy: -63.778 Base-Backbone interact. energy: -0.007 local terms energy: -68.558702 where: bonds (distance) C4'-P energy: -14.175 bonds (distance) P-C4' energy: -12.000 flat angles C4'-P-C4' energy: -13.231 flat angles P-C4'-P energy: -11.169 tors. eta vs tors. theta energy: -17.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 364 Temperature: 0.950000 Total energy: -199.387290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.387290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.387290 (E_RNA) where: Base-Base interactions energy: -129.227 where: short stacking energy: -60.404 Base-Backbone interact. energy: -0.159 local terms energy: -70.001089 where: bonds (distance) C4'-P energy: -13.020 bonds (distance) P-C4' energy: -15.463 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -10.726 tors. eta vs tors. theta energy: -16.713 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 364 Temperature: 1.000000 Total energy: -200.117025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.117025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.117025 (E_RNA) where: Base-Base interactions energy: -129.860 where: short stacking energy: -62.172 Base-Backbone interact. energy: -0.097 local terms energy: -70.160371 where: bonds (distance) C4'-P energy: -14.568 bonds (distance) P-C4' energy: -11.972 flat angles C4'-P-C4' energy: -15.175 flat angles P-C4'-P energy: -10.813 tors. eta vs tors. theta energy: -17.632 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: 4 ===================================== Write number: 364 Temperature: 1.050000 Total energy: -184.100258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.100258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.100258 (E_RNA) where: Base-Base interactions energy: -120.714 where: short stacking energy: -52.945 Base-Backbone interact. energy: 0.150 local terms energy: -63.536680 where: bonds (distance) C4'-P energy: -14.056 bonds (distance) P-C4' energy: -14.574 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -10.000 tors. eta vs tors. theta energy: -10.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 364 Temperature: 1.100000 Total energy: -199.578861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.578861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.578861 (E_RNA) where: Base-Base interactions energy: -139.945 where: short stacking energy: -68.037 Base-Backbone interact. energy: -0.000 local terms energy: -59.633186 where: bonds (distance) C4'-P energy: -11.009 bonds (distance) P-C4' energy: -6.993 flat angles C4'-P-C4' energy: -11.955 flat angles P-C4'-P energy: -9.585 tors. eta vs tors. theta energy: -20.092 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: 364 Temperature: 1.150000 Total energy: -177.923618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.923618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.923618 (E_RNA) where: Base-Base interactions energy: -121.555 where: short stacking energy: -47.154 Base-Backbone interact. energy: -0.331 local terms energy: -56.038092 where: bonds (distance) C4'-P energy: -13.683 bonds (distance) P-C4' energy: -13.917 flat angles C4'-P-C4' energy: -14.152 flat angles P-C4'-P energy: -5.036 tors. eta vs tors. theta energy: -9.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 364 Temperature: 1.200000 Total energy: -183.845924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.845924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.845924 (E_RNA) where: Base-Base interactions energy: -121.057 where: short stacking energy: -54.815 Base-Backbone interact. energy: 1.111 local terms energy: -63.900046 where: bonds (distance) C4'-P energy: -12.988 bonds (distance) P-C4' energy: -11.232 flat angles C4'-P-C4' energy: -13.962 flat angles P-C4'-P energy: -10.437 tors. eta vs tors. theta energy: -15.280 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: 7 ===================================== Write number: 364 Temperature: 1.250000 Total energy: -77.762686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.762686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.762686 (E_RNA) where: Base-Base interactions energy: -23.632 where: short stacking energy: -20.278 Base-Backbone interact. energy: -0.154 local terms energy: -53.976774 where: bonds (distance) C4'-P energy: -13.207 bonds (distance) P-C4' energy: -13.887 flat angles C4'-P-C4' energy: -13.644 flat angles P-C4'-P energy: -6.441 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: 9, replica: 3 ===================================== Write number: 364 Temperature: 1.300000 Total energy: -73.426532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.426532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.426532 (E_RNA) where: Base-Base interactions energy: -25.716 where: short stacking energy: -25.716 Base-Backbone interact. energy: -0.462 local terms energy: -47.248730 where: bonds (distance) C4'-P energy: -15.769 bonds (distance) P-C4' energy: -12.402 flat angles C4'-P-C4' energy: -12.077 flat angles P-C4'-P energy: -9.628 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: 10, replica: 8 ===================================== Write number: 364 Temperature: 1.350000 Total energy: -69.357137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.357137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.357137 (E_RNA) where: Base-Base interactions energy: -23.968 where: short stacking energy: -23.968 Base-Backbone interact. energy: 3.328 local terms energy: -48.717086 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -11.281 tors. eta vs tors. theta energy: 2.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 365 Temperature: 0.900000 Total energy: -205.762741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.762741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.762741 (E_RNA) where: Base-Base interactions energy: -130.875 where: short stacking energy: -61.233 Base-Backbone interact. energy: -0.006 local terms energy: -74.881795 where: bonds (distance) C4'-P energy: -14.702 bonds (distance) P-C4' energy: -17.144 flat angles C4'-P-C4' energy: -14.175 flat angles P-C4'-P energy: -11.475 tors. eta vs tors. theta energy: -17.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 365 Temperature: 0.950000 Total energy: -211.119659 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.119659 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.119659 (E_RNA) where: Base-Base interactions energy: -142.118 where: short stacking energy: -63.915 Base-Backbone interact. energy: -0.000 local terms energy: -69.001308 where: bonds (distance) C4'-P energy: -15.607 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -10.881 flat angles P-C4'-P energy: -12.472 tors. eta vs tors. theta energy: -15.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 365 Temperature: 1.000000 Total energy: -200.308161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.308161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.308161 (E_RNA) where: Base-Base interactions energy: -127.473 where: short stacking energy: -56.118 Base-Backbone interact. energy: -0.001 local terms energy: -72.834104 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -15.291 flat angles C4'-P-C4' energy: -15.354 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -17.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 365 Temperature: 1.050000 Total energy: -199.388113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.388113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.388113 (E_RNA) where: Base-Base interactions energy: -133.201 where: short stacking energy: -65.765 Base-Backbone interact. energy: -0.183 local terms energy: -66.003480 where: bonds (distance) C4'-P energy: -14.482 bonds (distance) P-C4' energy: -8.720 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -10.806 tors. eta vs tors. theta energy: -19.647 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 365 Temperature: 1.100000 Total energy: -175.218645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.218645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.218645 (E_RNA) where: Base-Base interactions energy: -113.154 where: short stacking energy: -47.253 Base-Backbone interact. energy: -0.093 local terms energy: -61.971510 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -13.010 flat angles C4'-P-C4' energy: -15.482 flat angles P-C4'-P energy: -8.126 tors. eta vs tors. theta energy: -12.764 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 365 Temperature: 1.150000 Total energy: -175.441060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.441060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.441060 (E_RNA) where: Base-Base interactions energy: -114.189 where: short stacking energy: -60.669 Base-Backbone interact. energy: -0.002 local terms energy: -61.249317 where: bonds (distance) C4'-P energy: -11.112 bonds (distance) P-C4' energy: -10.743 flat angles C4'-P-C4' energy: -15.195 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -13.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 365 Temperature: 1.200000 Total energy: -177.636453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.636453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.636453 (E_RNA) where: Base-Base interactions energy: -113.477 where: short stacking energy: -54.766 Base-Backbone interact. energy: -0.040 local terms energy: -64.119347 where: bonds (distance) C4'-P energy: -12.288 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -11.646 flat angles P-C4'-P energy: -10.293 tors. eta vs tors. theta energy: -14.845 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: 3 ===================================== Write number: 365 Temperature: 1.250000 Total energy: -98.482603 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.482603 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.482603 (E_RNA) where: Base-Base interactions energy: -38.601 where: short stacking energy: -30.587 Base-Backbone interact. energy: -0.009 local terms energy: -59.872588 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -14.121 flat angles C4'-P-C4' energy: -13.163 flat angles P-C4'-P energy: -5.484 tors. eta vs tors. theta energy: -13.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 365 Temperature: 1.300000 Total energy: -76.299213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.299213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.299213 (E_RNA) where: Base-Base interactions energy: -27.664 where: short stacking energy: -27.664 Base-Backbone interact. energy: -0.016 local terms energy: -48.619031 where: bonds (distance) C4'-P energy: -11.539 bonds (distance) P-C4' energy: -12.765 flat angles C4'-P-C4' energy: -8.812 flat angles P-C4'-P energy: -7.992 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: 10, replica: 8 ===================================== Write number: 365 Temperature: 1.350000 Total energy: -77.303047 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.303047 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.303047 (E_RNA) where: Base-Base interactions energy: -26.609 where: short stacking energy: -26.609 Base-Backbone interact. energy: -0.002 local terms energy: -50.692451 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -10.959 flat angles P-C4'-P energy: -4.629 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: 1, replica: 9 ===================================== Write number: 366 Temperature: 0.900000 Total energy: -209.345098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.345098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.345098 (E_RNA) where: Base-Base interactions energy: -140.599 where: short stacking energy: -62.966 Base-Backbone interact. energy: -0.023 local terms energy: -68.723369 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -14.429 flat angles P-C4'-P energy: -11.392 tors. eta vs tors. theta energy: -19.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 366 Temperature: 0.950000 Total energy: -208.006886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.006886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.006886 (E_RNA) where: Base-Base interactions energy: -137.078 where: short stacking energy: -67.055 Base-Backbone interact. energy: -0.005 local terms energy: -70.923039 where: bonds (distance) C4'-P energy: -12.065 bonds (distance) P-C4' energy: -12.944 flat angles C4'-P-C4' energy: -15.638 flat angles P-C4'-P energy: -12.810 tors. eta vs tors. theta energy: -17.466 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: 366 Temperature: 1.000000 Total energy: -205.706805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.706805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.706805 (E_RNA) where: Base-Base interactions energy: -132.648 where: short stacking energy: -56.933 Base-Backbone interact. energy: -0.149 local terms energy: -72.910593 where: bonds (distance) C4'-P energy: -15.376 bonds (distance) P-C4' energy: -16.876 flat angles C4'-P-C4' energy: -13.048 flat angles P-C4'-P energy: -9.620 tors. eta vs tors. theta energy: -17.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 366 Temperature: 1.050000 Total energy: -193.105924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.105924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.105924 (E_RNA) where: Base-Base interactions energy: -126.755 where: short stacking energy: -62.714 Base-Backbone interact. energy: -0.002 local terms energy: -66.349271 where: bonds (distance) C4'-P energy: -13.240 bonds (distance) P-C4' energy: -11.823 flat angles C4'-P-C4' energy: -15.085 flat angles P-C4'-P energy: -11.907 tors. eta vs tors. theta energy: -14.295 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 366 Temperature: 1.100000 Total energy: -183.404323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.404323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.404323 (E_RNA) where: Base-Base interactions energy: -116.557 where: short stacking energy: -54.358 Base-Backbone interact. energy: -0.008 local terms energy: -66.838881 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -10.740 flat angles C4'-P-C4' energy: -14.085 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -18.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 366 Temperature: 1.150000 Total energy: -185.650492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.650492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.650492 (E_RNA) where: Base-Base interactions energy: -129.984 where: short stacking energy: -66.025 Base-Backbone interact. energy: -0.000 local terms energy: -55.666361 where: bonds (distance) C4'-P energy: -12.238 bonds (distance) P-C4' energy: -7.431 flat angles C4'-P-C4' energy: -9.728 flat angles P-C4'-P energy: -7.919 tors. eta vs tors. theta energy: -18.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 366 Temperature: 1.200000 Total energy: -185.065468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.065468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.065468 (E_RNA) where: Base-Base interactions energy: -121.966 where: short stacking energy: -45.089 Base-Backbone interact. energy: -0.126 local terms energy: -62.973959 where: bonds (distance) C4'-P energy: -13.758 bonds (distance) P-C4' energy: -13.578 flat angles C4'-P-C4' energy: -15.230 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -12.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 366 Temperature: 1.250000 Total energy: -95.554571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.554571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.554571 (E_RNA) where: Base-Base interactions energy: -40.627 where: short stacking energy: -36.298 Base-Backbone interact. energy: -0.016 local terms energy: -54.911562 where: bonds (distance) C4'-P energy: -10.815 bonds (distance) P-C4' energy: -11.708 flat angles C4'-P-C4' energy: -12.587 flat angles P-C4'-P energy: -8.591 tors. eta vs tors. theta energy: -11.211 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 366 Temperature: 1.300000 Total energy: -75.835653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.835653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.835653 (E_RNA) where: Base-Base interactions energy: -34.769 where: short stacking energy: -29.147 Base-Backbone interact. energy: -0.089 local terms energy: -40.977407 where: bonds (distance) C4'-P energy: -8.812 bonds (distance) P-C4' energy: -15.308 flat angles C4'-P-C4' energy: -9.868 flat angles P-C4'-P energy: -6.019 tors. eta vs tors. theta energy: -0.971 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 7 ===================================== Write number: 366 Temperature: 1.350000 Total energy: -79.382007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.382007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.382007 (E_RNA) where: Base-Base interactions energy: -36.191 where: short stacking energy: -36.191 Base-Backbone interact. energy: 0.394 local terms energy: -43.585576 where: bonds (distance) C4'-P energy: -9.560 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -10.470 flat angles P-C4'-P energy: -9.752 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: 9 ===================================== Write number: 367 Temperature: 0.900000 Total energy: -205.326624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.326624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.326624 (E_RNA) where: Base-Base interactions energy: -135.640 where: short stacking energy: -53.301 Base-Backbone interact. energy: -0.017 local terms energy: -69.668928 where: bonds (distance) C4'-P energy: -12.971 bonds (distance) P-C4' energy: -14.289 flat angles C4'-P-C4' energy: -13.666 flat angles P-C4'-P energy: -12.774 tors. eta vs tors. theta energy: -15.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 367 Temperature: 0.950000 Total energy: -205.616541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.616541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.616541 (E_RNA) where: Base-Base interactions energy: -133.641 where: short stacking energy: -61.595 Base-Backbone interact. energy: -0.033 local terms energy: -71.943218 where: bonds (distance) C4'-P energy: -12.351 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -15.671 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -17.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 367 Temperature: 1.000000 Total energy: -203.374848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.374848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.374848 (E_RNA) where: Base-Base interactions energy: -136.710 where: short stacking energy: -57.514 Base-Backbone interact. energy: -0.009 local terms energy: -66.656329 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -10.799 flat angles P-C4'-P energy: -11.359 tors. eta vs tors. theta energy: -16.248 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: 4 ===================================== Write number: 367 Temperature: 1.050000 Total energy: -200.000528 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.000528 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.000528 (E_RNA) where: Base-Base interactions energy: -135.591 where: short stacking energy: -61.805 Base-Backbone interact. energy: -0.132 local terms energy: -64.277716 where: bonds (distance) C4'-P energy: -10.599 bonds (distance) P-C4' energy: -11.454 flat angles C4'-P-C4' energy: -13.879 flat angles P-C4'-P energy: -12.355 tors. eta vs tors. theta energy: -15.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 367 Temperature: 1.100000 Total energy: -192.153511 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.153511 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.153511 (E_RNA) where: Base-Base interactions energy: -126.951 where: short stacking energy: -61.005 Base-Backbone interact. energy: 0.165 local terms energy: -65.367979 where: bonds (distance) C4'-P energy: -13.344 bonds (distance) P-C4' energy: -13.292 flat angles C4'-P-C4' energy: -13.734 flat angles P-C4'-P energy: -7.889 tors. eta vs tors. theta energy: -17.109 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 367 Temperature: 1.150000 Total energy: -185.670013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.670013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.670013 (E_RNA) where: Base-Base interactions energy: -119.903 where: short stacking energy: -56.219 Base-Backbone interact. energy: -0.013 local terms energy: -65.754331 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -15.469 flat angles C4'-P-C4' energy: -15.112 flat angles P-C4'-P energy: -9.187 tors. eta vs tors. theta energy: -14.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 367 Temperature: 1.200000 Total energy: -177.641662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.641662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.641662 (E_RNA) where: Base-Base interactions energy: -116.160 where: short stacking energy: -50.900 Base-Backbone interact. energy: -0.017 local terms energy: -61.464953 where: bonds (distance) C4'-P energy: -13.277 bonds (distance) P-C4' energy: -8.873 flat angles C4'-P-C4' energy: -14.683 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -14.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 367 Temperature: 1.250000 Total energy: -78.356257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.356257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.356257 (E_RNA) where: Base-Base interactions energy: -23.942 where: short stacking energy: -23.552 Base-Backbone interact. energy: -0.016 local terms energy: -54.397954 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -13.942 flat angles C4'-P-C4' energy: -12.321 flat angles P-C4'-P energy: -9.018 tors. eta vs tors. theta energy: -7.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 367 Temperature: 1.300000 Total energy: -72.801361 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.801361 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.801361 (E_RNA) where: Base-Base interactions energy: -27.867 where: short stacking energy: -27.867 Base-Backbone interact. energy: -0.202 local terms energy: -44.732263 where: bonds (distance) C4'-P energy: -7.327 bonds (distance) P-C4' energy: -13.827 flat angles C4'-P-C4' energy: -13.261 flat angles P-C4'-P energy: -6.813 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: 10, replica: 7 ===================================== Write number: 367 Temperature: 1.350000 Total energy: -157.061179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.061179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.061179 (E_RNA) where: Base-Base interactions energy: -105.819 where: short stacking energy: -42.536 Base-Backbone interact. energy: 0.399 local terms energy: -51.640921 where: bonds (distance) C4'-P energy: -11.939 bonds (distance) P-C4' energy: -14.412 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -5.603 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: 1, replica: 9 ===================================== Write number: 368 Temperature: 0.900000 Total energy: -212.937358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.937358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.937358 (E_RNA) where: Base-Base interactions energy: -141.000 where: short stacking energy: -63.517 Base-Backbone interact. energy: -0.007 local terms energy: -71.930917 where: bonds (distance) C4'-P energy: -13.924 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -15.505 flat angles P-C4'-P energy: -11.453 tors. eta vs tors. theta energy: -17.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 368 Temperature: 0.950000 Total energy: -203.250313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.250313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.250313 (E_RNA) where: Base-Base interactions energy: -136.692 where: short stacking energy: -58.681 Base-Backbone interact. energy: -0.002 local terms energy: -66.555905 where: bonds (distance) C4'-P energy: -13.858 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -18.836 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: 10 ===================================== Write number: 368 Temperature: 1.000000 Total energy: -203.574941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.574941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.574941 (E_RNA) where: Base-Base interactions energy: -133.182 where: short stacking energy: -65.413 Base-Backbone interact. energy: -0.122 local terms energy: -70.270974 where: bonds (distance) C4'-P energy: -12.633 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -10.237 tors. eta vs tors. theta energy: -18.886 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 368 Temperature: 1.050000 Total energy: -190.400963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.400963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.400963 (E_RNA) where: Base-Base interactions energy: -127.736 where: short stacking energy: -64.043 Base-Backbone interact. energy: -0.100 local terms energy: -62.564866 where: bonds (distance) C4'-P energy: -13.254 bonds (distance) P-C4' energy: -11.234 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -7.947 tors. eta vs tors. theta energy: -18.160 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: 5 ===================================== Write number: 368 Temperature: 1.100000 Total energy: -181.643526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.643526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.643526 (E_RNA) where: Base-Base interactions energy: -114.624 where: short stacking energy: -56.002 Base-Backbone interact. energy: -0.514 local terms energy: -66.505136 where: bonds (distance) C4'-P energy: -16.381 bonds (distance) P-C4' energy: -10.291 flat angles C4'-P-C4' energy: -14.475 flat angles P-C4'-P energy: -12.397 tors. eta vs tors. theta energy: -12.961 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: 2 ===================================== Write number: 368 Temperature: 1.150000 Total energy: -185.762652 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.762652 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.762652 (E_RNA) where: Base-Base interactions energy: -123.261 where: short stacking energy: -51.086 Base-Backbone interact. energy: -0.071 local terms energy: -62.430646 where: bonds (distance) C4'-P energy: -13.158 bonds (distance) P-C4' energy: -12.136 flat angles C4'-P-C4' energy: -12.189 flat angles P-C4'-P energy: -5.597 tors. eta vs tors. theta energy: -19.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 368 Temperature: 1.200000 Total energy: -177.115136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.115136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.115136 (E_RNA) where: Base-Base interactions energy: -116.987 where: short stacking energy: -58.742 Base-Backbone interact. energy: -0.172 local terms energy: -59.956499 where: bonds (distance) C4'-P energy: -11.100 bonds (distance) P-C4' energy: -11.339 flat angles C4'-P-C4' energy: -15.372 flat angles P-C4'-P energy: -6.236 tors. eta vs tors. theta energy: -15.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 368 Temperature: 1.250000 Total energy: -127.376381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -127.376381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -127.376381 (E_RNA) where: Base-Base interactions energy: -79.210 where: short stacking energy: -52.493 Base-Backbone interact. energy: 1.449 local terms energy: -49.615503 where: bonds (distance) C4'-P energy: -10.152 bonds (distance) P-C4' energy: -8.041 flat angles C4'-P-C4' energy: -12.385 flat angles P-C4'-P energy: -6.275 tors. eta vs tors. theta energy: -12.763 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 7 ===================================== Write number: 368 Temperature: 1.300000 Total energy: -177.899817 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.899817 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.899817 (E_RNA) where: Base-Base interactions energy: -117.702 where: short stacking energy: -57.076 Base-Backbone interact. energy: -0.001 local terms energy: -60.196752 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -10.650 flat angles P-C4'-P energy: -8.376 tors. eta vs tors. theta energy: -16.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 368 Temperature: 1.350000 Total energy: -109.157209 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -109.157209 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -109.157209 (E_RNA) where: Base-Base interactions energy: -63.044 where: short stacking energy: -40.180 Base-Backbone interact. energy: -0.161 local terms energy: -45.952267 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -12.632 flat angles P-C4'-P energy: -5.021 tors. eta vs tors. theta energy: -4.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 369 Temperature: 0.900000 Total energy: -215.338967 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.338967 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.338967 (E_RNA) where: Base-Base interactions energy: -141.757 where: short stacking energy: -70.527 Base-Backbone interact. energy: 0.958 local terms energy: -74.539935 where: bonds (distance) C4'-P energy: -17.102 bonds (distance) P-C4' energy: -15.036 flat angles C4'-P-C4' energy: -11.461 flat angles P-C4'-P energy: -11.169 tors. eta vs tors. theta energy: -19.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 369 Temperature: 0.950000 Total energy: -204.352219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.352219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.352219 (E_RNA) where: Base-Base interactions energy: -134.732 where: short stacking energy: -59.303 Base-Backbone interact. energy: -0.191 local terms energy: -69.428932 where: bonds (distance) C4'-P energy: -14.001 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -13.433 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: -17.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 369 Temperature: 1.000000 Total energy: -197.959131 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.959131 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.959131 (E_RNA) where: Base-Base interactions energy: -134.652 where: short stacking energy: -60.239 Base-Backbone interact. energy: -0.000 local terms energy: -63.306935 where: bonds (distance) C4'-P energy: -11.183 bonds (distance) P-C4' energy: -11.247 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -18.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 369 Temperature: 1.050000 Total energy: -203.321915 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.321915 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.321915 (E_RNA) where: Base-Base interactions energy: -137.354 where: short stacking energy: -63.751 Base-Backbone interact. energy: -0.015 local terms energy: -65.953416 where: bonds (distance) C4'-P energy: -13.009 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -9.363 tors. eta vs tors. theta energy: -16.842 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 369 Temperature: 1.100000 Total energy: -168.255165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.255165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.255165 (E_RNA) where: Base-Base interactions energy: -109.074 where: short stacking energy: -43.825 Base-Backbone interact. energy: -0.420 local terms energy: -58.761122 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -13.620 flat angles P-C4'-P energy: -11.520 tors. eta vs tors. theta energy: -7.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 369 Temperature: 1.150000 Total energy: -190.264188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.264188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.264188 (E_RNA) where: Base-Base interactions energy: -120.140 where: short stacking energy: -56.668 Base-Backbone interact. energy: -0.651 local terms energy: -69.473798 where: bonds (distance) C4'-P energy: -12.888 bonds (distance) P-C4' energy: -14.837 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -9.703 tors. eta vs tors. theta energy: -19.761 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: 2 ===================================== Write number: 369 Temperature: 1.200000 Total energy: -170.157169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.157169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.157169 (E_RNA) where: Base-Base interactions energy: -118.302 where: short stacking energy: -56.306 Base-Backbone interact. energy: -0.001 local terms energy: -51.854615 where: bonds (distance) C4'-P energy: -2.286 bonds (distance) P-C4' energy: -12.541 flat angles C4'-P-C4' energy: -15.223 flat angles P-C4'-P energy: -7.133 tors. eta vs tors. theta energy: -14.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 369 Temperature: 1.250000 Total energy: -167.692491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.692491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.692491 (E_RNA) where: Base-Base interactions energy: -102.082 where: short stacking energy: -48.314 Base-Backbone interact. energy: -0.363 local terms energy: -65.247226 where: bonds (distance) C4'-P energy: -16.063 bonds (distance) P-C4' energy: -13.306 flat angles C4'-P-C4' energy: -12.328 flat angles P-C4'-P energy: -8.523 tors. eta vs tors. theta energy: -15.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 369 Temperature: 1.300000 Total energy: -75.792067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.792067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.792067 (E_RNA) where: Base-Base interactions energy: -33.508 where: short stacking energy: -29.513 Base-Backbone interact. energy: -0.078 local terms energy: -42.206072 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -12.264 flat angles C4'-P-C4' energy: -13.018 flat angles P-C4'-P energy: -3.921 tors. eta vs tors. theta energy: -2.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 369 Temperature: 1.350000 Total energy: -103.380746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -103.380746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -103.380746 (E_RNA) where: Base-Base interactions energy: -56.657 where: short stacking energy: -27.830 Base-Backbone interact. energy: -0.116 local terms energy: -46.608424 where: bonds (distance) C4'-P energy: -8.955 bonds (distance) P-C4' energy: -11.443 flat angles C4'-P-C4' energy: -14.486 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -3.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 370 Temperature: 0.900000 Total energy: -204.238893 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.238893 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.238893 (E_RNA) where: Base-Base interactions energy: -133.699 where: short stacking energy: -58.001 Base-Backbone interact. energy: -0.013 local terms energy: -70.526723 where: bonds (distance) C4'-P energy: -15.340 bonds (distance) P-C4' energy: -15.379 flat angles C4'-P-C4' energy: -13.829 flat angles P-C4'-P energy: -10.066 tors. eta vs tors. theta energy: -15.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 370 Temperature: 0.950000 Total energy: -212.960310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.960310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.960310 (E_RNA) where: Base-Base interactions energy: -136.508 where: short stacking energy: -64.574 Base-Backbone interact. energy: -0.001 local terms energy: -76.451141 where: bonds (distance) C4'-P energy: -16.175 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -14.955 flat angles P-C4'-P energy: -11.770 tors. eta vs tors. theta energy: -19.860 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 370 Temperature: 1.000000 Total energy: -200.589411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.589411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.589411 (E_RNA) where: Base-Base interactions energy: -130.427 where: short stacking energy: -59.518 Base-Backbone interact. energy: -0.114 local terms energy: -70.048495 where: bonds (distance) C4'-P energy: -13.951 bonds (distance) P-C4' energy: -14.926 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -7.127 tors. eta vs tors. theta energy: -18.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 370 Temperature: 1.050000 Total energy: -200.927828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.927828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.927828 (E_RNA) where: Base-Base interactions energy: -131.094 where: short stacking energy: -62.992 Base-Backbone interact. energy: -0.036 local terms energy: -69.797240 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -13.944 flat angles C4'-P-C4' energy: -14.138 flat angles P-C4'-P energy: -6.794 tors. eta vs tors. theta energy: -20.311 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: 370 Temperature: 1.100000 Total energy: -191.309352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.309352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.309352 (E_RNA) where: Base-Base interactions energy: -123.957 where: short stacking energy: -59.874 Base-Backbone interact. energy: -0.090 local terms energy: -67.261977 where: bonds (distance) C4'-P energy: -11.535 bonds (distance) P-C4' energy: -13.243 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -11.372 tors. eta vs tors. theta energy: -18.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 370 Temperature: 1.150000 Total energy: -190.590651 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.590651 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.590651 (E_RNA) where: Base-Base interactions energy: -127.664 where: short stacking energy: -60.078 Base-Backbone interact. energy: -0.075 local terms energy: -62.851390 where: bonds (distance) C4'-P energy: -11.078 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -12.196 flat angles P-C4'-P energy: -8.487 tors. eta vs tors. theta energy: -15.962 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: 7 ===================================== Write number: 370 Temperature: 1.200000 Total energy: -185.879223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.879223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.879223 (E_RNA) where: Base-Base interactions energy: -120.942 where: short stacking energy: -55.256 Base-Backbone interact. energy: -0.593 local terms energy: -64.344483 where: bonds (distance) C4'-P energy: -11.203 bonds (distance) P-C4' energy: -12.602 flat angles C4'-P-C4' energy: -12.252 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -17.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 370 Temperature: 1.250000 Total energy: -170.946324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.946324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.946324 (E_RNA) where: Base-Base interactions energy: -115.977 where: short stacking energy: -54.525 Base-Backbone interact. energy: -0.185 local terms energy: -54.784439 where: bonds (distance) C4'-P energy: -11.084 bonds (distance) P-C4' energy: -11.315 flat angles C4'-P-C4' energy: -12.151 flat angles P-C4'-P energy: -8.325 tors. eta vs tors. theta energy: -11.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 370 Temperature: 1.300000 Total energy: -111.431700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -111.431700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -111.431700 (E_RNA) where: Base-Base interactions energy: -69.859 where: short stacking energy: -37.629 Base-Backbone interact. energy: -0.280 local terms energy: -41.293277 where: bonds (distance) C4'-P energy: -10.484 bonds (distance) P-C4' energy: -10.914 flat angles C4'-P-C4' energy: -9.860 flat angles P-C4'-P energy: -3.235 tors. eta vs tors. theta energy: -6.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 370 Temperature: 1.350000 Total energy: -85.145106 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.145106 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.145106 (E_RNA) where: Base-Base interactions energy: -33.018 where: short stacking energy: -33.018 Base-Backbone interact. energy: -0.265 local terms energy: -51.862742 where: bonds (distance) C4'-P energy: -12.500 bonds (distance) P-C4' energy: -12.649 flat angles C4'-P-C4' energy: -11.283 flat angles P-C4'-P energy: -9.865 tors. eta vs tors. theta energy: -5.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 371 Temperature: 0.900000 Total energy: -210.650072 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.650072 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.650072 (E_RNA) where: Base-Base interactions energy: -138.722 where: short stacking energy: -63.807 Base-Backbone interact. energy: -0.170 local terms energy: -71.758735 where: bonds (distance) C4'-P energy: -12.775 bonds (distance) P-C4' energy: -14.518 flat angles C4'-P-C4' energy: -15.760 flat angles P-C4'-P energy: -9.369 tors. eta vs tors. theta energy: -19.337 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 371 Temperature: 0.950000 Total energy: -204.540424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.540424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.540424 (E_RNA) where: Base-Base interactions energy: -137.835 where: short stacking energy: -65.754 Base-Backbone interact. energy: -0.002 local terms energy: -66.702540 where: bonds (distance) C4'-P energy: -15.082 bonds (distance) P-C4' energy: -9.228 flat angles C4'-P-C4' energy: -14.145 flat angles P-C4'-P energy: -9.635 tors. eta vs tors. theta energy: -18.612 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 371 Temperature: 1.000000 Total energy: -200.323486 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.323486 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.323486 (E_RNA) where: Base-Base interactions energy: -138.156 where: short stacking energy: -65.145 Base-Backbone interact. energy: -0.179 local terms energy: -61.987823 where: bonds (distance) C4'-P energy: -13.000 bonds (distance) P-C4' energy: -13.862 flat angles C4'-P-C4' energy: -14.229 flat angles P-C4'-P energy: -3.786 tors. eta vs tors. theta energy: -17.111 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 371 Temperature: 1.050000 Total energy: -190.392557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.392557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.392557 (E_RNA) where: Base-Base interactions energy: -128.315 where: short stacking energy: -55.728 Base-Backbone interact. energy: -0.050 local terms energy: -62.027384 where: bonds (distance) C4'-P energy: -14.243 bonds (distance) P-C4' energy: -14.905 flat angles C4'-P-C4' energy: -7.965 flat angles P-C4'-P energy: -12.592 tors. eta vs tors. theta energy: -12.322 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 371 Temperature: 1.100000 Total energy: -188.741638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.741638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.741638 (E_RNA) where: Base-Base interactions energy: -126.633 where: short stacking energy: -54.014 Base-Backbone interact. energy: -0.032 local terms energy: -62.076104 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -11.231 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -6.614 tors. eta vs tors. theta energy: -17.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 371 Temperature: 1.150000 Total energy: -193.754572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.754572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.754572 (E_RNA) where: Base-Base interactions energy: -123.576 where: short stacking energy: -64.130 Base-Backbone interact. energy: -0.029 local terms energy: -70.149124 where: bonds (distance) C4'-P energy: -13.713 bonds (distance) P-C4' energy: -15.104 flat angles C4'-P-C4' energy: -14.917 flat angles P-C4'-P energy: -10.310 tors. eta vs tors. theta energy: -16.105 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: 7 ===================================== Write number: 371 Temperature: 1.200000 Total energy: -167.086328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.086328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.086328 (E_RNA) where: Base-Base interactions energy: -109.412 where: short stacking energy: -48.861 Base-Backbone interact. energy: -0.016 local terms energy: -57.658112 where: bonds (distance) C4'-P energy: -8.513 bonds (distance) P-C4' energy: -13.048 flat angles C4'-P-C4' energy: -13.783 flat angles P-C4'-P energy: -9.035 tors. eta vs tors. theta energy: -13.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 371 Temperature: 1.250000 Total energy: -172.900448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.900448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.900448 (E_RNA) where: Base-Base interactions energy: -116.649 where: short stacking energy: -49.535 Base-Backbone interact. energy: -0.001 local terms energy: -56.250848 where: bonds (distance) C4'-P energy: -11.066 bonds (distance) P-C4' energy: -12.226 flat angles C4'-P-C4' energy: -11.103 flat angles P-C4'-P energy: -7.989 tors. eta vs tors. theta energy: -13.866 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 371 Temperature: 1.300000 Total energy: -77.405191 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.405191 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.405191 (E_RNA) where: Base-Base interactions energy: -35.789 where: short stacking energy: -31.998 Base-Backbone interact. energy: -0.201 local terms energy: -41.415422 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -9.194 flat angles C4'-P-C4' energy: -10.161 flat angles P-C4'-P energy: -4.361 tors. eta vs tors. theta energy: -4.721 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 371 Temperature: 1.350000 Total energy: -66.154189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.154189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.154189 (E_RNA) where: Base-Base interactions energy: -22.528 where: short stacking energy: -22.528 Base-Backbone interact. energy: -0.090 local terms energy: -43.535792 where: bonds (distance) C4'-P energy: -9.813 bonds (distance) P-C4' energy: -13.221 flat angles C4'-P-C4' energy: -12.740 flat angles P-C4'-P energy: -1.054 tors. eta vs tors. theta energy: -6.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 372 Temperature: 0.900000 Total energy: -213.809359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.809359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.809359 (E_RNA) where: Base-Base interactions energy: -139.370 where: short stacking energy: -68.021 Base-Backbone interact. energy: -0.002 local terms energy: -74.437688 where: bonds (distance) C4'-P energy: -15.323 bonds (distance) P-C4' energy: -14.044 flat angles C4'-P-C4' energy: -15.939 flat angles P-C4'-P energy: -8.762 tors. eta vs tors. theta energy: -20.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 372 Temperature: 0.950000 Total energy: -212.190667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.190667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.190667 (E_RNA) where: Base-Base interactions energy: -139.849 where: short stacking energy: -74.423 Base-Backbone interact. energy: -0.000 local terms energy: -72.341695 where: bonds (distance) C4'-P energy: -15.144 bonds (distance) P-C4' energy: -12.894 flat angles C4'-P-C4' energy: -12.681 flat angles P-C4'-P energy: -11.097 tors. eta vs tors. theta energy: -20.526 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 372 Temperature: 1.000000 Total energy: -199.139029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.139029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.139029 (E_RNA) where: Base-Base interactions energy: -135.571 where: short stacking energy: -62.198 Base-Backbone interact. energy: -0.001 local terms energy: -63.567615 where: bonds (distance) C4'-P energy: -9.080 bonds (distance) P-C4' energy: -11.977 flat angles C4'-P-C4' energy: -15.322 flat angles P-C4'-P energy: -10.123 tors. eta vs tors. theta energy: -17.065 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: 1 ===================================== Write number: 372 Temperature: 1.050000 Total energy: -176.901031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.901031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.901031 (E_RNA) where: Base-Base interactions energy: -119.230 where: short stacking energy: -55.928 Base-Backbone interact. energy: -0.124 local terms energy: -57.547842 where: bonds (distance) C4'-P energy: -10.475 bonds (distance) P-C4' energy: -12.081 flat angles C4'-P-C4' energy: -12.466 flat angles P-C4'-P energy: -8.519 tors. eta vs tors. theta energy: -14.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 372 Temperature: 1.100000 Total energy: -182.972493 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.972493 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.972493 (E_RNA) where: Base-Base interactions energy: -121.155 where: short stacking energy: -54.761 Base-Backbone interact. energy: -0.023 local terms energy: -61.793986 where: bonds (distance) C4'-P energy: -11.476 bonds (distance) P-C4' energy: -12.025 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -10.993 tors. eta vs tors. theta energy: -13.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 372 Temperature: 1.150000 Total energy: -187.878391 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.878391 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.878391 (E_RNA) where: Base-Base interactions energy: -129.470 where: short stacking energy: -57.036 Base-Backbone interact. energy: -0.067 local terms energy: -58.341966 where: bonds (distance) C4'-P energy: -9.908 bonds (distance) P-C4' energy: -10.864 flat angles C4'-P-C4' energy: -14.441 flat angles P-C4'-P energy: -5.538 tors. eta vs tors. theta energy: -17.591 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 372 Temperature: 1.200000 Total energy: -188.683235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.683235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.683235 (E_RNA) where: Base-Base interactions energy: -131.188 where: short stacking energy: -54.483 Base-Backbone interact. energy: -0.089 local terms energy: -57.406542 where: bonds (distance) C4'-P energy: -7.692 bonds (distance) P-C4' energy: -14.789 flat angles C4'-P-C4' energy: -9.208 flat angles P-C4'-P energy: -11.219 tors. eta vs tors. theta energy: -14.499 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: 8, replica: 7 ===================================== Write number: 372 Temperature: 1.250000 Total energy: -165.205240 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.205240 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.205240 (E_RNA) where: Base-Base interactions energy: -108.153 where: short stacking energy: -47.293 Base-Backbone interact. energy: -0.017 local terms energy: -57.035243 where: bonds (distance) C4'-P energy: -13.645 bonds (distance) P-C4' energy: -12.212 flat angles C4'-P-C4' energy: -10.593 flat angles P-C4'-P energy: -10.813 tors. eta vs tors. theta energy: -9.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 372 Temperature: 1.300000 Total energy: -69.234566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.234566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.234566 (E_RNA) where: Base-Base interactions energy: -22.730 where: short stacking energy: -22.730 Base-Backbone interact. energy: -0.211 local terms energy: -46.293623 where: bonds (distance) C4'-P energy: -15.032 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -10.451 flat angles P-C4'-P energy: -5.292 tors. eta vs tors. theta energy: -1.077 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 372 Temperature: 1.350000 Total energy: -71.459781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.459781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.459781 (E_RNA) where: Base-Base interactions energy: -31.977 where: short stacking energy: -22.804 Base-Backbone interact. energy: -1.112 local terms energy: -38.370685 where: bonds (distance) C4'-P energy: -7.908 bonds (distance) P-C4' energy: -5.012 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -9.498 tors. eta vs tors. theta energy: -2.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 373 Temperature: 0.900000 Total energy: -221.586459 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -221.586459 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -221.586459 (E_RNA) where: Base-Base interactions energy: -144.110 where: short stacking energy: -66.212 Base-Backbone interact. energy: -0.020 local terms energy: -77.455644 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -15.837 flat angles C4'-P-C4' energy: -14.554 flat angles P-C4'-P energy: -12.335 tors. eta vs tors. theta energy: -19.781 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: 9 ===================================== Write number: 373 Temperature: 0.950000 Total energy: -198.001775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.001775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.001775 (E_RNA) where: Base-Base interactions energy: -125.994 where: short stacking energy: -63.446 Base-Backbone interact. energy: -0.007 local terms energy: -72.001111 where: bonds (distance) C4'-P energy: -12.524 bonds (distance) P-C4' energy: -13.461 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -12.695 tors. eta vs tors. theta energy: -19.593 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 373 Temperature: 1.000000 Total energy: -193.950187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.950187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.950187 (E_RNA) where: Base-Base interactions energy: -125.053 where: short stacking energy: -60.279 Base-Backbone interact. energy: 0.005 local terms energy: -68.902105 where: bonds (distance) C4'-P energy: -11.753 bonds (distance) P-C4' energy: -14.857 flat angles C4'-P-C4' energy: -15.123 flat angles P-C4'-P energy: -9.641 tors. eta vs tors. theta energy: -17.527 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: 6 ===================================== Write number: 373 Temperature: 1.050000 Total energy: -186.029437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.029437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.029437 (E_RNA) where: Base-Base interactions energy: -126.658 where: short stacking energy: -53.149 Base-Backbone interact. energy: -0.132 local terms energy: -59.238877 where: bonds (distance) C4'-P energy: -14.553 bonds (distance) P-C4' energy: -12.859 flat angles C4'-P-C4' energy: -10.969 flat angles P-C4'-P energy: -5.259 tors. eta vs tors. theta energy: -15.599 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: 5, replica: 1 ===================================== Write number: 373 Temperature: 1.100000 Total energy: -185.695785 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.695785 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.695785 (E_RNA) where: Base-Base interactions energy: -121.427 where: short stacking energy: -49.088 Base-Backbone interact. energy: -0.026 local terms energy: -64.243002 where: bonds (distance) C4'-P energy: -11.257 bonds (distance) P-C4' energy: -10.783 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -11.288 tors. eta vs tors. theta energy: -17.327 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 373 Temperature: 1.150000 Total energy: -186.869704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.869704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.869704 (E_RNA) where: Base-Base interactions energy: -119.132 where: short stacking energy: -57.406 Base-Backbone interact. energy: -0.024 local terms energy: -67.713611 where: bonds (distance) C4'-P energy: -10.812 bonds (distance) P-C4' energy: -12.103 flat angles C4'-P-C4' energy: -13.956 flat angles P-C4'-P energy: -11.546 tors. eta vs tors. theta energy: -19.295 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: 5 ===================================== Write number: 373 Temperature: 1.200000 Total energy: -179.582968 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.582968 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.582968 (E_RNA) where: Base-Base interactions energy: -122.300 where: short stacking energy: -48.967 Base-Backbone interact. energy: -0.685 local terms energy: -56.598218 where: bonds (distance) C4'-P energy: -8.714 bonds (distance) P-C4' energy: -13.522 flat angles C4'-P-C4' energy: -11.628 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -13.076 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: 8, replica: 7 ===================================== Write number: 373 Temperature: 1.250000 Total energy: -166.418358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.418358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.418358 (E_RNA) where: Base-Base interactions energy: -113.832 where: short stacking energy: -49.585 Base-Backbone interact. energy: -0.117 local terms energy: -52.469749 where: bonds (distance) C4'-P energy: -11.864 bonds (distance) P-C4' energy: -10.368 flat angles C4'-P-C4' energy: -15.516 flat angles P-C4'-P energy: -1.818 tors. eta vs tors. theta energy: -12.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 373 Temperature: 1.300000 Total energy: -88.914356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.914356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.914356 (E_RNA) where: Base-Base interactions energy: -32.376 where: short stacking energy: -32.376 Base-Backbone interact. energy: -0.009 local terms energy: -56.529712 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -14.103 flat angles C4'-P-C4' energy: -15.294 flat angles P-C4'-P energy: -10.724 tors. eta vs tors. theta energy: -4.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 373 Temperature: 1.350000 Total energy: -69.120759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.120759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.120759 (E_RNA) where: Base-Base interactions energy: -23.195 where: short stacking energy: -22.643 Base-Backbone interact. energy: -0.104 local terms energy: -45.821515 where: bonds (distance) C4'-P energy: -11.336 bonds (distance) P-C4' energy: -13.019 flat angles C4'-P-C4' energy: -15.300 flat angles P-C4'-P energy: -7.373 tors. eta vs tors. theta energy: 1.207 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: 10 ===================================== Write number: 374 Temperature: 0.900000 Total energy: -210.759171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.759171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.759171 (E_RNA) where: Base-Base interactions energy: -135.945 where: short stacking energy: -59.590 Base-Backbone interact. energy: -0.000 local terms energy: -74.814222 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -14.665 flat angles C4'-P-C4' energy: -13.078 flat angles P-C4'-P energy: -12.110 tors. eta vs tors. theta energy: -21.547 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: 9 ===================================== Write number: 374 Temperature: 0.950000 Total energy: -197.217570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.217570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.217570 (E_RNA) where: Base-Base interactions energy: -128.200 where: short stacking energy: -64.328 Base-Backbone interact. energy: -0.096 local terms energy: -68.921668 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -15.505 flat angles C4'-P-C4' energy: -17.081 flat angles P-C4'-P energy: -7.223 tors. eta vs tors. theta energy: -16.830 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: 6 ===================================== Write number: 374 Temperature: 1.000000 Total energy: -188.926384 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.926384 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.926384 (E_RNA) where: Base-Base interactions energy: -127.729 where: short stacking energy: -51.926 Base-Backbone interact. energy: -0.130 local terms energy: -61.067467 where: bonds (distance) C4'-P energy: -10.732 bonds (distance) P-C4' energy: -11.801 flat angles C4'-P-C4' energy: -14.494 flat angles P-C4'-P energy: -6.723 tors. eta vs tors. theta energy: -17.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 374 Temperature: 1.050000 Total energy: -203.714789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.714789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.714789 (E_RNA) where: Base-Base interactions energy: -138.633 where: short stacking energy: -61.608 Base-Backbone interact. energy: -0.302 local terms energy: -64.780171 where: bonds (distance) C4'-P energy: -12.007 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -5.112 tors. eta vs tors. theta energy: -18.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 374 Temperature: 1.100000 Total energy: -182.796464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.796464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.796464 (E_RNA) where: Base-Base interactions energy: -114.305 where: short stacking energy: -50.220 Base-Backbone interact. energy: -0.110 local terms energy: -68.380539 where: bonds (distance) C4'-P energy: -14.196 bonds (distance) P-C4' energy: -15.551 flat angles C4'-P-C4' energy: -14.597 flat angles P-C4'-P energy: -9.335 tors. eta vs tors. theta energy: -14.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 374 Temperature: 1.150000 Total energy: -172.793015 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.793015 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.793015 (E_RNA) where: Base-Base interactions energy: -122.701 where: short stacking energy: -59.956 Base-Backbone interact. energy: -0.033 local terms energy: -50.059280 where: bonds (distance) C4'-P energy: -5.122 bonds (distance) P-C4' energy: -10.781 flat angles C4'-P-C4' energy: -10.082 flat angles P-C4'-P energy: -7.667 tors. eta vs tors. theta energy: -16.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 374 Temperature: 1.200000 Total energy: -185.704248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.704248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.704248 (E_RNA) where: Base-Base interactions energy: -125.628 where: short stacking energy: -63.215 Base-Backbone interact. energy: -0.205 local terms energy: -59.871463 where: bonds (distance) C4'-P energy: -11.803 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -13.513 flat angles P-C4'-P energy: -4.408 tors. eta vs tors. theta energy: -14.890 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 374 Temperature: 1.250000 Total energy: -178.578092 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.578092 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.578092 (E_RNA) where: Base-Base interactions energy: -117.285 where: short stacking energy: -46.522 Base-Backbone interact. energy: -0.054 local terms energy: -61.239819 where: bonds (distance) C4'-P energy: -14.225 bonds (distance) P-C4' energy: -13.178 flat angles C4'-P-C4' energy: -10.657 flat angles P-C4'-P energy: -9.134 tors. eta vs tors. theta energy: -14.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 374 Temperature: 1.300000 Total energy: -78.481246 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.481246 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.481246 (E_RNA) where: Base-Base interactions energy: -36.808 where: short stacking energy: -27.295 Base-Backbone interact. energy: -0.156 local terms energy: -41.516481 where: bonds (distance) C4'-P energy: -13.647 bonds (distance) P-C4' energy: -12.218 flat angles C4'-P-C4' energy: -13.976 flat angles P-C4'-P energy: -3.527 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: 3 ===================================== Write number: 374 Temperature: 1.350000 Total energy: -67.945291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.945291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.945291 (E_RNA) where: Base-Base interactions energy: -25.173 where: short stacking energy: -19.469 Base-Backbone interact. energy: -0.129 local terms energy: -42.643582 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -13.627 flat angles P-C4'-P energy: -2.173 tors. eta vs tors. theta energy: 1.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 375 Temperature: 0.900000 Total energy: -207.411739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.411739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.411739 (E_RNA) where: Base-Base interactions energy: -134.215 where: short stacking energy: -59.082 Base-Backbone interact. energy: -0.360 local terms energy: -72.837181 where: bonds (distance) C4'-P energy: -13.443 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -12.989 flat angles P-C4'-P energy: -10.677 tors. eta vs tors. theta energy: -19.646 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 375 Temperature: 0.950000 Total energy: -210.301291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.301291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.301291 (E_RNA) where: Base-Base interactions energy: -142.030 where: short stacking energy: -61.778 Base-Backbone interact. energy: -0.015 local terms energy: -68.255856 where: bonds (distance) C4'-P energy: -12.452 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -14.765 flat angles P-C4'-P energy: -11.282 tors. eta vs tors. theta energy: -15.794 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: 9 ===================================== Write number: 375 Temperature: 1.000000 Total energy: -205.558169 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.558169 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.558169 (E_RNA) where: Base-Base interactions energy: -130.599 where: short stacking energy: -66.831 Base-Backbone interact. energy: -0.258 local terms energy: -74.700593 where: bonds (distance) C4'-P energy: -13.849 bonds (distance) P-C4' energy: -16.861 flat angles C4'-P-C4' energy: -15.033 flat angles P-C4'-P energy: -12.509 tors. eta vs tors. theta energy: -16.449 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 375 Temperature: 1.050000 Total energy: -197.530875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.530875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.530875 (E_RNA) where: Base-Base interactions energy: -130.442 where: short stacking energy: -62.752 Base-Backbone interact. energy: -0.247 local terms energy: -66.841427 where: bonds (distance) C4'-P energy: -11.683 bonds (distance) P-C4' energy: -14.303 flat angles C4'-P-C4' energy: -10.966 flat angles P-C4'-P energy: -11.232 tors. eta vs tors. theta energy: -18.658 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: 2 ===================================== Write number: 375 Temperature: 1.100000 Total energy: -187.189563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.189563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.189563 (E_RNA) where: Base-Base interactions energy: -124.844 where: short stacking energy: -52.983 Base-Backbone interact. energy: 0.166 local terms energy: -62.511328 where: bonds (distance) C4'-P energy: -14.545 bonds (distance) P-C4' energy: -16.374 flat angles C4'-P-C4' energy: -13.025 flat angles P-C4'-P energy: -6.606 tors. eta vs tors. theta energy: -11.961 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: 1 ===================================== Write number: 375 Temperature: 1.150000 Total energy: -167.095328 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.095328 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.095328 (E_RNA) where: Base-Base interactions energy: -116.742 where: short stacking energy: -48.774 Base-Backbone interact. energy: -0.086 local terms energy: -50.266517 where: bonds (distance) C4'-P energy: -9.154 bonds (distance) P-C4' energy: -11.660 flat angles C4'-P-C4' energy: -11.568 flat angles P-C4'-P energy: -7.892 tors. eta vs tors. theta energy: -9.993 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: 5 ===================================== Write number: 375 Temperature: 1.200000 Total energy: -171.558901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.558901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.558901 (E_RNA) where: Base-Base interactions energy: -113.355 where: short stacking energy: -52.845 Base-Backbone interact. energy: -0.071 local terms energy: -58.133175 where: bonds (distance) C4'-P energy: -5.897 bonds (distance) P-C4' energy: -13.194 flat angles C4'-P-C4' energy: -14.654 flat angles P-C4'-P energy: -8.995 tors. eta vs tors. theta energy: -15.394 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: 7 ===================================== Write number: 375 Temperature: 1.250000 Total energy: -178.879031 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.879031 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.879031 (E_RNA) where: Base-Base interactions energy: -119.960 where: short stacking energy: -56.705 Base-Backbone interact. energy: -0.896 local terms energy: -58.022639 where: bonds (distance) C4'-P energy: -8.140 bonds (distance) P-C4' energy: -14.438 flat angles C4'-P-C4' energy: -14.984 flat angles P-C4'-P energy: -7.532 tors. eta vs tors. theta energy: -12.929 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: 8 ===================================== Write number: 375 Temperature: 1.300000 Total energy: -74.578381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.578381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.578381 (E_RNA) where: Base-Base interactions energy: -33.882 where: short stacking energy: -24.068 Base-Backbone interact. energy: -0.358 local terms energy: -40.337841 where: bonds (distance) C4'-P energy: -11.500 bonds (distance) P-C4' energy: -11.052 flat angles C4'-P-C4' energy: -8.139 flat angles P-C4'-P energy: -7.679 tors. eta vs tors. theta energy: -1.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 375 Temperature: 1.350000 Total energy: -71.941667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.941667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.941667 (E_RNA) where: Base-Base interactions energy: -20.817 where: short stacking energy: -20.817 Base-Backbone interact. energy: -0.502 local terms energy: -50.623099 where: bonds (distance) C4'-P energy: -13.078 bonds (distance) P-C4' energy: -15.942 flat angles C4'-P-C4' energy: -12.823 flat angles P-C4'-P energy: -7.575 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: 1, replica: 6 ===================================== Write number: 376 Temperature: 0.900000 Total energy: -203.580412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.580412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.580412 (E_RNA) where: Base-Base interactions energy: -129.043 where: short stacking energy: -62.218 Base-Backbone interact. energy: -0.059 local terms energy: -74.478072 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -14.701 flat angles P-C4'-P energy: -12.764 tors. eta vs tors. theta energy: -18.781 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: 10 ===================================== Write number: 376 Temperature: 0.950000 Total energy: -207.658975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.658975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.658975 (E_RNA) where: Base-Base interactions energy: -141.951 where: short stacking energy: -59.628 Base-Backbone interact. energy: -0.021 local terms energy: -65.686451 where: bonds (distance) C4'-P energy: -11.927 bonds (distance) P-C4' energy: -12.874 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -17.345 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 376 Temperature: 1.000000 Total energy: -201.096955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.096955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.096955 (E_RNA) where: Base-Base interactions energy: -129.868 where: short stacking energy: -63.026 Base-Backbone interact. energy: -0.000 local terms energy: -71.228493 where: bonds (distance) C4'-P energy: -14.434 bonds (distance) P-C4' energy: -10.560 flat angles C4'-P-C4' energy: -16.544 flat angles P-C4'-P energy: -10.622 tors. eta vs tors. theta energy: -19.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 376 Temperature: 1.050000 Total energy: -189.912639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.912639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.912639 (E_RNA) where: Base-Base interactions energy: -125.907 where: short stacking energy: -57.025 Base-Backbone interact. energy: -0.005 local terms energy: -64.000778 where: bonds (distance) C4'-P energy: -9.550 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -14.089 flat angles P-C4'-P energy: -10.332 tors. eta vs tors. theta energy: -15.156 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 376 Temperature: 1.100000 Total energy: -196.143577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.143577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.143577 (E_RNA) where: Base-Base interactions energy: -129.710 where: short stacking energy: -56.602 Base-Backbone interact. energy: -0.373 local terms energy: -66.060614 where: bonds (distance) C4'-P energy: -15.839 bonds (distance) P-C4' energy: -12.650 flat angles C4'-P-C4' energy: -14.816 flat angles P-C4'-P energy: -9.212 tors. eta vs tors. theta energy: -13.544 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: 1 ===================================== Write number: 376 Temperature: 1.150000 Total energy: -177.084458 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.084458 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.084458 (E_RNA) where: Base-Base interactions energy: -122.321 where: short stacking energy: -50.016 Base-Backbone interact. energy: -0.260 local terms energy: -54.503351 where: bonds (distance) C4'-P energy: -8.691 bonds (distance) P-C4' energy: -14.461 flat angles C4'-P-C4' energy: -14.579 flat angles P-C4'-P energy: -6.752 tors. eta vs tors. theta energy: -10.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 376 Temperature: 1.200000 Total energy: -179.072437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.072437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.072437 (E_RNA) where: Base-Base interactions energy: -114.792 where: short stacking energy: -53.252 Base-Backbone interact. energy: -0.091 local terms energy: -64.188986 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -13.818 flat angles C4'-P-C4' energy: -12.242 flat angles P-C4'-P energy: -10.277 tors. eta vs tors. theta energy: -15.155 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 376 Temperature: 1.250000 Total energy: -173.634759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.634759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.634759 (E_RNA) where: Base-Base interactions energy: -115.712 where: short stacking energy: -53.927 Base-Backbone interact. energy: -0.093 local terms energy: -57.830327 where: bonds (distance) C4'-P energy: -9.962 bonds (distance) P-C4' energy: -13.342 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -9.281 tors. eta vs tors. theta energy: -14.252 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 376 Temperature: 1.300000 Total energy: -78.108018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.108018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.108018 (E_RNA) where: Base-Base interactions energy: -26.535 where: short stacking energy: -17.544 Base-Backbone interact. energy: -0.128 local terms energy: -51.445340 where: bonds (distance) C4'-P energy: -11.034 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -15.231 flat angles P-C4'-P energy: -7.336 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: 8 ===================================== Write number: 376 Temperature: 1.350000 Total energy: -77.927978 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.927978 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.927978 (E_RNA) where: Base-Base interactions energy: -33.866 where: short stacking energy: -20.489 Base-Backbone interact. energy: -0.092 local terms energy: -43.969850 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -16.658 flat angles C4'-P-C4' energy: -6.972 flat angles P-C4'-P energy: -6.527 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: 1, replica: 6 ===================================== Write number: 377 Temperature: 0.900000 Total energy: -210.749577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.749577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.749577 (E_RNA) where: Base-Base interactions energy: -141.191 where: short stacking energy: -66.722 Base-Backbone interact. energy: -0.001 local terms energy: -69.558062 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -15.293 flat angles C4'-P-C4' energy: -12.627 flat angles P-C4'-P energy: -7.330 tors. eta vs tors. theta energy: -18.941 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: 10 ===================================== Write number: 377 Temperature: 0.950000 Total energy: -206.532960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.532960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.532960 (E_RNA) where: Base-Base interactions energy: -137.912 where: short stacking energy: -60.776 Base-Backbone interact. energy: -0.006 local terms energy: -68.615109 where: bonds (distance) C4'-P energy: -13.670 bonds (distance) P-C4' energy: -16.923 flat angles C4'-P-C4' energy: -12.827 flat angles P-C4'-P energy: -9.038 tors. eta vs tors. theta energy: -16.158 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: 3, replica: 4 ===================================== Write number: 377 Temperature: 1.000000 Total energy: -205.515837 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.515837 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.515837 (E_RNA) where: Base-Base interactions energy: -137.247 where: short stacking energy: -61.733 Base-Backbone interact. energy: -0.009 local terms energy: -68.259198 where: bonds (distance) C4'-P energy: -12.328 bonds (distance) P-C4' energy: -12.969 flat angles C4'-P-C4' energy: -14.424 flat angles P-C4'-P energy: -11.155 tors. eta vs tors. theta energy: -17.383 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 377 Temperature: 1.050000 Total energy: -191.182291 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.182291 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.182291 (E_RNA) where: Base-Base interactions energy: -124.014 where: short stacking energy: -51.857 Base-Backbone interact. energy: -0.127 local terms energy: -67.041484 where: bonds (distance) C4'-P energy: -12.304 bonds (distance) P-C4' energy: -10.780 flat angles C4'-P-C4' energy: -16.093 flat angles P-C4'-P energy: -11.670 tors. eta vs tors. theta energy: -16.194 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 377 Temperature: 1.100000 Total energy: -183.162627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.162627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.162627 (E_RNA) where: Base-Base interactions energy: -124.443 where: short stacking energy: -60.025 Base-Backbone interact. energy: -0.093 local terms energy: -58.627408 where: bonds (distance) C4'-P energy: -7.917 bonds (distance) P-C4' energy: -14.184 flat angles C4'-P-C4' energy: -13.979 flat angles P-C4'-P energy: -8.170 tors. eta vs tors. theta energy: -14.377 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 377 Temperature: 1.150000 Total energy: -184.363002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.363002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.363002 (E_RNA) where: Base-Base interactions energy: -124.706 where: short stacking energy: -48.089 Base-Backbone interact. energy: -0.595 local terms energy: -59.062392 where: bonds (distance) C4'-P energy: -10.420 bonds (distance) P-C4' energy: -11.844 flat angles C4'-P-C4' energy: -13.630 flat angles P-C4'-P energy: -5.695 tors. eta vs tors. theta energy: -17.474 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 377 Temperature: 1.200000 Total energy: -180.821617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.821617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.821617 (E_RNA) where: Base-Base interactions energy: -121.015 where: short stacking energy: -58.182 Base-Backbone interact. energy: -0.158 local terms energy: -59.648853 where: bonds (distance) C4'-P energy: -10.977 bonds (distance) P-C4' energy: -15.051 flat angles C4'-P-C4' energy: -12.308 flat angles P-C4'-P energy: -8.713 tors. eta vs tors. theta energy: -12.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 377 Temperature: 1.250000 Total energy: -166.643579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.643579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.643579 (E_RNA) where: Base-Base interactions energy: -114.841 where: short stacking energy: -49.643 Base-Backbone interact. energy: -0.432 local terms energy: -51.371071 where: bonds (distance) C4'-P energy: -13.700 bonds (distance) P-C4' energy: -11.264 flat angles C4'-P-C4' energy: -14.062 flat angles P-C4'-P energy: -4.093 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: 9, replica: 3 ===================================== Write number: 377 Temperature: 1.300000 Total energy: -78.451937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.451937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.451937 (E_RNA) where: Base-Base interactions energy: -35.270 where: short stacking energy: -32.027 Base-Backbone interact. energy: -0.083 local terms energy: -43.099689 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -11.339 flat angles C4'-P-C4' energy: -12.433 flat angles P-C4'-P energy: -8.075 tors. eta vs tors. theta energy: 1.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 377 Temperature: 1.350000 Total energy: -83.745681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.745681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.745681 (E_RNA) where: Base-Base interactions energy: -32.794 where: short stacking energy: -28.530 Base-Backbone interact. energy: -0.253 local terms energy: -50.698640 where: bonds (distance) C4'-P energy: -12.400 bonds (distance) P-C4' energy: -16.082 flat angles C4'-P-C4' energy: -13.634 flat angles P-C4'-P energy: -4.156 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: 1, replica: 10 ===================================== Write number: 378 Temperature: 0.900000 Total energy: -205.224707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.224707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.224707 (E_RNA) where: Base-Base interactions energy: -135.395 where: short stacking energy: -67.232 Base-Backbone interact. energy: -0.006 local terms energy: -69.822960 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -15.258 flat angles C4'-P-C4' energy: -15.680 flat angles P-C4'-P energy: -9.658 tors. eta vs tors. theta energy: -15.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 378 Temperature: 0.950000 Total energy: -198.905778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.905778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.905778 (E_RNA) where: Base-Base interactions energy: -128.294 where: short stacking energy: -63.839 Base-Backbone interact. energy: -0.000 local terms energy: -70.611920 where: bonds (distance) C4'-P energy: -13.827 bonds (distance) P-C4' energy: -14.516 flat angles C4'-P-C4' energy: -13.942 flat angles P-C4'-P energy: -12.227 tors. eta vs tors. theta energy: -16.099 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: 2 ===================================== Write number: 378 Temperature: 1.000000 Total energy: -199.950939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.950939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.950939 (E_RNA) where: Base-Base interactions energy: -134.496 where: short stacking energy: -62.506 Base-Backbone interact. energy: -0.115 local terms energy: -65.340160 where: bonds (distance) C4'-P energy: -12.082 bonds (distance) P-C4' energy: -13.204 flat angles C4'-P-C4' energy: -15.162 flat angles P-C4'-P energy: -8.541 tors. eta vs tors. theta energy: -16.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 378 Temperature: 1.050000 Total energy: -192.740086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.740086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.740086 (E_RNA) where: Base-Base interactions energy: -123.920 where: short stacking energy: -63.536 Base-Backbone interact. energy: -0.272 local terms energy: -68.547491 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -14.097 flat angles C4'-P-C4' energy: -13.291 flat angles P-C4'-P energy: -11.763 tors. eta vs tors. theta energy: -15.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 378 Temperature: 1.100000 Total energy: -185.676516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.676516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.676516 (E_RNA) where: Base-Base interactions energy: -125.184 where: short stacking energy: -56.115 Base-Backbone interact. energy: 0.939 local terms energy: -61.431551 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -12.068 flat angles C4'-P-C4' energy: -15.767 flat angles P-C4'-P energy: -10.109 tors. eta vs tors. theta energy: -12.947 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: 6, replica: 9 ===================================== Write number: 378 Temperature: 1.150000 Total energy: -175.108719 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.108719 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.108719 (E_RNA) where: Base-Base interactions energy: -120.834 where: short stacking energy: -58.838 Base-Backbone interact. energy: -0.019 local terms energy: -54.255248 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -12.111 flat angles C4'-P-C4' energy: -8.216 flat angles P-C4'-P energy: -9.346 tors. eta vs tors. theta energy: -13.528 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 378 Temperature: 1.200000 Total energy: -176.815956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.815956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.815956 (E_RNA) where: Base-Base interactions energy: -115.884 where: short stacking energy: -49.252 Base-Backbone interact. energy: -0.259 local terms energy: -60.673387 where: bonds (distance) C4'-P energy: -8.160 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -14.540 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -13.450 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 378 Temperature: 1.250000 Total energy: -161.126341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.126341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.126341 (E_RNA) where: Base-Base interactions energy: -106.799 where: short stacking energy: -45.487 Base-Backbone interact. energy: 0.081 local terms energy: -54.408765 where: bonds (distance) C4'-P energy: -12.243 bonds (distance) P-C4' energy: -16.178 flat angles C4'-P-C4' energy: -11.375 flat angles P-C4'-P energy: -8.184 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: 9, replica: 8 ===================================== Write number: 378 Temperature: 1.300000 Total energy: -72.052496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.052496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.052496 (E_RNA) where: Base-Base interactions energy: -25.728 where: short stacking energy: -25.703 Base-Backbone interact. energy: -0.821 local terms energy: -45.503801 where: bonds (distance) C4'-P energy: -14.043 bonds (distance) P-C4' energy: -12.559 flat angles C4'-P-C4' energy: -10.269 flat angles P-C4'-P energy: -5.391 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: 10, replica: 3 ===================================== Write number: 378 Temperature: 1.350000 Total energy: -66.278835 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.278835 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.278835 (E_RNA) where: Base-Base interactions energy: -17.691 where: short stacking energy: -17.691 Base-Backbone interact. energy: -0.851 local terms energy: -47.737105 where: bonds (distance) C4'-P energy: -16.113 bonds (distance) P-C4' energy: -13.045 flat angles C4'-P-C4' energy: -14.211 flat angles P-C4'-P energy: -6.042 tors. eta vs tors. theta energy: 1.674 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 379 Temperature: 0.900000 Total energy: -203.755321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.755321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.755321 (E_RNA) where: Base-Base interactions energy: -127.658 where: short stacking energy: -59.445 Base-Backbone interact. energy: -0.003 local terms energy: -76.094706 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -11.710 tors. eta vs tors. theta energy: -19.998 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: 6 ===================================== Write number: 379 Temperature: 0.950000 Total energy: -211.233654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.233654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.233654 (E_RNA) where: Base-Base interactions energy: -142.707 where: short stacking energy: -62.148 Base-Backbone interact. energy: -0.164 local terms energy: -68.362695 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -12.628 flat angles C4'-P-C4' energy: -14.943 flat angles P-C4'-P energy: -8.853 tors. eta vs tors. theta energy: -16.368 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 379 Temperature: 1.000000 Total energy: -202.427611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.427611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.427611 (E_RNA) where: Base-Base interactions energy: -134.004 where: short stacking energy: -67.277 Base-Backbone interact. energy: -0.002 local terms energy: -68.421203 where: bonds (distance) C4'-P energy: -14.227 bonds (distance) P-C4' energy: -14.096 flat angles C4'-P-C4' energy: -12.427 flat angles P-C4'-P energy: -8.422 tors. eta vs tors. theta energy: -19.249 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 379 Temperature: 1.050000 Total energy: -186.104359 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.104359 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.104359 (E_RNA) where: Base-Base interactions energy: -116.792 where: short stacking energy: -58.556 Base-Backbone interact. energy: -0.051 local terms energy: -69.260980 where: bonds (distance) C4'-P energy: -12.774 bonds (distance) P-C4' energy: -14.057 flat angles C4'-P-C4' energy: -15.155 flat angles P-C4'-P energy: -11.203 tors. eta vs tors. theta energy: -16.073 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 379 Temperature: 1.100000 Total energy: -195.910107 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.910107 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.910107 (E_RNA) where: Base-Base interactions energy: -131.234 where: short stacking energy: -63.231 Base-Backbone interact. energy: -0.758 local terms energy: -63.917976 where: bonds (distance) C4'-P energy: -6.818 bonds (distance) P-C4' energy: -15.699 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -10.274 tors. eta vs tors. theta energy: -17.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 379 Temperature: 1.150000 Total energy: -170.313380 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.313380 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.313380 (E_RNA) where: Base-Base interactions energy: -117.391 where: short stacking energy: -53.040 Base-Backbone interact. energy: -0.125 local terms energy: -52.797922 where: bonds (distance) C4'-P energy: -7.463 bonds (distance) P-C4' energy: -9.979 flat angles C4'-P-C4' energy: -12.215 flat angles P-C4'-P energy: -10.151 tors. eta vs tors. theta energy: -12.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 379 Temperature: 1.200000 Total energy: -176.157461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.157461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.157461 (E_RNA) where: Base-Base interactions energy: -116.934 where: short stacking energy: -56.027 Base-Backbone interact. energy: -0.119 local terms energy: -59.104403 where: bonds (distance) C4'-P energy: -12.822 bonds (distance) P-C4' energy: -10.915 flat angles C4'-P-C4' energy: -13.572 flat angles P-C4'-P energy: -6.064 tors. eta vs tors. theta energy: -15.732 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: 1 ===================================== Write number: 379 Temperature: 1.250000 Total energy: -164.520630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.520630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.520630 (E_RNA) where: Base-Base interactions energy: -102.809 where: short stacking energy: -49.337 Base-Backbone interact. energy: -0.028 local terms energy: -61.683191 where: bonds (distance) C4'-P energy: -10.256 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -14.788 flat angles P-C4'-P energy: -7.497 tors. eta vs tors. theta energy: -13.373 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 379 Temperature: 1.300000 Total energy: -69.205124 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.205124 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.205124 (E_RNA) where: Base-Base interactions energy: -32.292 where: short stacking energy: -31.928 Base-Backbone interact. energy: -0.025 local terms energy: -36.887394 where: bonds (distance) C4'-P energy: -5.532 bonds (distance) P-C4' energy: -12.982 flat angles C4'-P-C4' energy: -10.816 flat angles P-C4'-P energy: -1.920 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: 10, replica: 3 ===================================== Write number: 379 Temperature: 1.350000 Total energy: -87.417912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.417912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.417912 (E_RNA) where: Base-Base interactions energy: -47.990 where: short stacking energy: -29.341 Base-Backbone interact. energy: -0.091 local terms energy: -39.336514 where: bonds (distance) C4'-P energy: -13.638 bonds (distance) P-C4' energy: -10.095 flat angles C4'-P-C4' energy: -6.620 flat angles P-C4'-P energy: -6.543 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: 1, replica: 6 ===================================== Write number: 380 Temperature: 0.900000 Total energy: -210.656800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.656800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.656800 (E_RNA) where: Base-Base interactions energy: -140.754 where: short stacking energy: -69.071 Base-Backbone interact. energy: -0.296 local terms energy: -69.607757 where: bonds (distance) C4'-P energy: -13.076 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -13.192 flat angles P-C4'-P energy: -10.108 tors. eta vs tors. theta energy: -18.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 380 Temperature: 0.950000 Total energy: -201.940344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.940344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.940344 (E_RNA) where: Base-Base interactions energy: -133.974 where: short stacking energy: -60.646 Base-Backbone interact. energy: -0.161 local terms energy: -67.805040 where: bonds (distance) C4'-P energy: -10.227 bonds (distance) P-C4' energy: -12.849 flat angles C4'-P-C4' energy: -15.581 flat angles P-C4'-P energy: -12.939 tors. eta vs tors. theta energy: -16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 380 Temperature: 1.000000 Total energy: -207.020053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.020053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.020053 (E_RNA) where: Base-Base interactions energy: -138.021 where: short stacking energy: -61.310 Base-Backbone interact. energy: -0.047 local terms energy: -68.951659 where: bonds (distance) C4'-P energy: -13.136 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -15.536 flat angles P-C4'-P energy: -7.658 tors. eta vs tors. theta energy: -18.262 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: 4, replica: 7 ===================================== Write number: 380 Temperature: 1.050000 Total energy: -190.724975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.724975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.724975 (E_RNA) where: Base-Base interactions energy: -123.914 where: short stacking energy: -57.923 Base-Backbone interact. energy: -0.030 local terms energy: -66.781375 where: bonds (distance) C4'-P energy: -9.854 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -14.885 flat angles P-C4'-P energy: -12.796 tors. eta vs tors. theta energy: -13.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 380 Temperature: 1.100000 Total energy: -186.550195 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.550195 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.550195 (E_RNA) where: Base-Base interactions energy: -123.645 where: short stacking energy: -61.088 Base-Backbone interact. energy: -0.140 local terms energy: -62.764897 where: bonds (distance) C4'-P energy: -12.333 bonds (distance) P-C4' energy: -11.400 flat angles C4'-P-C4' energy: -12.089 flat angles P-C4'-P energy: -10.498 tors. eta vs tors. theta energy: -16.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 380 Temperature: 1.150000 Total energy: -190.987519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.987519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.987519 (E_RNA) where: Base-Base interactions energy: -130.710 where: short stacking energy: -63.360 Base-Backbone interact. energy: -0.065 local terms energy: -60.213046 where: bonds (distance) C4'-P energy: -9.461 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -11.191 flat angles P-C4'-P energy: -6.528 tors. eta vs tors. theta energy: -16.429 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 380 Temperature: 1.200000 Total energy: -172.150407 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.150407 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.150407 (E_RNA) where: Base-Base interactions energy: -114.587 where: short stacking energy: -56.626 Base-Backbone interact. energy: -0.147 local terms energy: -57.417138 where: bonds (distance) C4'-P energy: -12.177 bonds (distance) P-C4' energy: -12.420 flat angles C4'-P-C4' energy: -15.132 flat angles P-C4'-P energy: -4.981 tors. eta vs tors. theta energy: -12.708 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: 9 ===================================== Write number: 380 Temperature: 1.250000 Total energy: -180.336507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.336507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.336507 (E_RNA) where: Base-Base interactions energy: -119.084 where: short stacking energy: -54.574 Base-Backbone interact. energy: -0.000 local terms energy: -61.252161 where: bonds (distance) C4'-P energy: -13.555 bonds (distance) P-C4' energy: -12.152 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -6.826 tors. eta vs tors. theta energy: -14.475 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: 3 ===================================== Write number: 380 Temperature: 1.300000 Total energy: -79.588032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.588032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.588032 (E_RNA) where: Base-Base interactions energy: -31.454 where: short stacking energy: -28.841 Base-Backbone interact. energy: 0.721 local terms energy: -48.855914 where: bonds (distance) C4'-P energy: -12.651 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -5.785 flat angles P-C4'-P energy: -7.894 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: 10, replica: 8 ===================================== Write number: 380 Temperature: 1.350000 Total energy: -75.965532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.965532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.965532 (E_RNA) where: Base-Base interactions energy: -24.548 where: short stacking energy: -24.548 Base-Backbone interact. energy: 0.193 local terms energy: -51.611028 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -15.128 flat angles C4'-P-C4' energy: -9.297 flat angles P-C4'-P energy: -5.682 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: 1, replica: 6 ===================================== Write number: 381 Temperature: 0.900000 Total energy: -211.244497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.244497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.244497 (E_RNA) where: Base-Base interactions energy: -133.575 where: short stacking energy: -57.965 Base-Backbone interact. energy: -0.039 local terms energy: -77.631095 where: bonds (distance) C4'-P energy: -15.503 bonds (distance) P-C4' energy: -16.382 flat angles C4'-P-C4' energy: -15.837 flat angles P-C4'-P energy: -12.148 tors. eta vs tors. theta energy: -17.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 381 Temperature: 0.950000 Total energy: -212.510147 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.510147 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.510147 (E_RNA) where: Base-Base interactions energy: -140.852 where: short stacking energy: -63.515 Base-Backbone interact. energy: -0.039 local terms energy: -71.618997 where: bonds (distance) C4'-P energy: -13.513 bonds (distance) P-C4' energy: -13.384 flat angles C4'-P-C4' energy: -14.826 flat angles P-C4'-P energy: -12.752 tors. eta vs tors. theta energy: -17.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 381 Temperature: 1.000000 Total energy: -207.221618 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.221618 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.221618 (E_RNA) where: Base-Base interactions energy: -137.170 where: short stacking energy: -61.437 Base-Backbone interact. energy: -0.047 local terms energy: -70.004183 where: bonds (distance) C4'-P energy: -13.286 bonds (distance) P-C4' energy: -11.922 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -10.945 tors. eta vs tors. theta energy: -19.846 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: 381 Temperature: 1.050000 Total energy: -183.961711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.961711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.961711 (E_RNA) where: Base-Base interactions energy: -118.403 where: short stacking energy: -51.634 Base-Backbone interact. energy: -0.711 local terms energy: -64.847980 where: bonds (distance) C4'-P energy: -16.568 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -13.803 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -9.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 381 Temperature: 1.100000 Total energy: -189.514490 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.514490 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.514490 (E_RNA) where: Base-Base interactions energy: -123.729 where: short stacking energy: -61.297 Base-Backbone interact. energy: -0.590 local terms energy: -65.195887 where: bonds (distance) C4'-P energy: -11.964 bonds (distance) P-C4' energy: -10.831 flat angles C4'-P-C4' energy: -15.103 flat angles P-C4'-P energy: -9.455 tors. eta vs tors. theta energy: -17.843 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 381 Temperature: 1.150000 Total energy: -165.537917 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.537917 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.537917 (E_RNA) where: Base-Base interactions energy: -112.301 where: short stacking energy: -46.801 Base-Backbone interact. energy: -0.668 local terms energy: -52.569406 where: bonds (distance) C4'-P energy: -11.668 bonds (distance) P-C4' energy: -10.152 flat angles C4'-P-C4' energy: -11.105 flat angles P-C4'-P energy: -11.146 tors. eta vs tors. theta energy: -8.499 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 381 Temperature: 1.200000 Total energy: -183.924364 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.924364 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.924364 (E_RNA) where: Base-Base interactions energy: -123.622 where: short stacking energy: -57.585 Base-Backbone interact. energy: -0.080 local terms energy: -60.222762 where: bonds (distance) C4'-P energy: -13.505 bonds (distance) P-C4' energy: -12.210 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -6.928 tors. eta vs tors. theta energy: -13.688 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: 9 ===================================== Write number: 381 Temperature: 1.250000 Total energy: -176.576515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.576515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.576515 (E_RNA) where: Base-Base interactions energy: -116.926 where: short stacking energy: -52.115 Base-Backbone interact. energy: -0.440 local terms energy: -59.210128 where: bonds (distance) C4'-P energy: -10.909 bonds (distance) P-C4' energy: -9.107 flat angles C4'-P-C4' energy: -15.924 flat angles P-C4'-P energy: -8.554 tors. eta vs tors. theta energy: -14.716 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: 3 ===================================== Write number: 381 Temperature: 1.300000 Total energy: -73.358628 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.358628 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.358628 (E_RNA) where: Base-Base interactions energy: -35.996 where: short stacking energy: -20.630 Base-Backbone interact. energy: 0.184 local terms energy: -37.546704 where: bonds (distance) C4'-P energy: -11.928 bonds (distance) P-C4' energy: -10.200 flat angles C4'-P-C4' energy: -3.890 flat angles P-C4'-P energy: -12.473 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: 8 ===================================== Write number: 381 Temperature: 1.350000 Total energy: -75.414482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.414482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.414482 (E_RNA) where: Base-Base interactions energy: -25.026 where: short stacking energy: -22.131 Base-Backbone interact. energy: -0.007 local terms energy: -50.380836 where: bonds (distance) C4'-P energy: -10.876 bonds (distance) P-C4' energy: -16.637 flat angles C4'-P-C4' energy: -13.258 flat angles P-C4'-P energy: -8.958 tors. eta vs tors. theta energy: -0.651 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 382 Temperature: 0.900000 Total energy: -212.813854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.813854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.813854 (E_RNA) where: Base-Base interactions energy: -146.717 where: short stacking energy: -65.406 Base-Backbone interact. energy: -0.124 local terms energy: -65.972481 where: bonds (distance) C4'-P energy: -15.029 bonds (distance) P-C4' energy: -11.578 flat angles C4'-P-C4' energy: -14.936 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -17.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 382 Temperature: 0.950000 Total energy: -205.389749 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.389749 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.389749 (E_RNA) where: Base-Base interactions energy: -131.511 where: short stacking energy: -54.656 Base-Backbone interact. energy: -0.003 local terms energy: -73.875299 where: bonds (distance) C4'-P energy: -16.374 bonds (distance) P-C4' energy: -15.212 flat angles C4'-P-C4' energy: -15.011 flat angles P-C4'-P energy: -11.608 tors. eta vs tors. theta energy: -15.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 382 Temperature: 1.000000 Total energy: -197.389261 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.389261 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.389261 (E_RNA) where: Base-Base interactions energy: -133.872 where: short stacking energy: -55.801 Base-Backbone interact. energy: -0.124 local terms energy: -63.392784 where: bonds (distance) C4'-P energy: -13.058 bonds (distance) P-C4' energy: -13.998 flat angles C4'-P-C4' energy: -15.535 flat angles P-C4'-P energy: -10.001 tors. eta vs tors. theta energy: -10.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 382 Temperature: 1.050000 Total energy: -202.392852 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.392852 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.392852 (E_RNA) where: Base-Base interactions energy: -125.752 where: short stacking energy: -62.925 Base-Backbone interact. energy: -0.175 local terms energy: -76.465954 where: bonds (distance) C4'-P energy: -11.940 bonds (distance) P-C4' energy: -14.254 flat angles C4'-P-C4' energy: -15.981 flat angles P-C4'-P energy: -12.234 tors. eta vs tors. theta energy: -22.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 382 Temperature: 1.100000 Total energy: -186.438656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.438656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.438656 (E_RNA) where: Base-Base interactions energy: -117.142 where: short stacking energy: -44.173 Base-Backbone interact. energy: -0.238 local terms energy: -69.057854 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -15.626 flat angles C4'-P-C4' energy: -16.271 flat angles P-C4'-P energy: -10.599 tors. eta vs tors. theta energy: -14.598 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: 5 ===================================== Write number: 382 Temperature: 1.150000 Total energy: -184.841889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.841889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.841889 (E_RNA) where: Base-Base interactions energy: -117.464 where: short stacking energy: -51.524 Base-Backbone interact. energy: -0.679 local terms energy: -66.699153 where: bonds (distance) C4'-P energy: -15.795 bonds (distance) P-C4' energy: -12.831 flat angles C4'-P-C4' energy: -15.906 flat angles P-C4'-P energy: -9.048 tors. eta vs tors. theta energy: -13.120 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: 9 ===================================== Write number: 382 Temperature: 1.200000 Total energy: -179.109947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.109947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.109947 (E_RNA) where: Base-Base interactions energy: -122.186 where: short stacking energy: -61.786 Base-Backbone interact. energy: -0.480 local terms energy: -56.444785 where: bonds (distance) C4'-P energy: -10.519 bonds (distance) P-C4' energy: -10.257 flat angles C4'-P-C4' energy: -11.860 flat angles P-C4'-P energy: -5.519 tors. eta vs tors. theta energy: -18.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 382 Temperature: 1.250000 Total energy: -186.386957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.386957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.386957 (E_RNA) where: Base-Base interactions energy: -123.844 where: short stacking energy: -50.755 Base-Backbone interact. energy: -0.090 local terms energy: -62.452830 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -9.132 flat angles C4'-P-C4' energy: -14.033 flat angles P-C4'-P energy: -10.246 tors. eta vs tors. theta energy: -15.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 382 Temperature: 1.300000 Total energy: -88.456962 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.456962 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.456962 (E_RNA) where: Base-Base interactions energy: -38.889 where: short stacking energy: -30.725 Base-Backbone interact. energy: -0.192 local terms energy: -49.375714 where: bonds (distance) C4'-P energy: -12.498 bonds (distance) P-C4' energy: -11.660 flat angles C4'-P-C4' energy: -10.161 flat angles P-C4'-P energy: -9.108 tors. eta vs tors. theta energy: -5.948 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 382 Temperature: 1.350000 Total energy: -74.777126 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.777126 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.777126 (E_RNA) where: Base-Base interactions energy: -32.799 where: short stacking energy: -32.799 Base-Backbone interact. energy: -0.348 local terms energy: -41.630455 where: bonds (distance) C4'-P energy: -11.224 bonds (distance) P-C4' energy: -12.238 flat angles C4'-P-C4' energy: -11.754 flat angles P-C4'-P energy: -1.191 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: 1, replica: 6 ===================================== Write number: 383 Temperature: 0.900000 Total energy: -211.969083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.969083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.969083 (E_RNA) where: Base-Base interactions energy: -144.297 where: short stacking energy: -65.675 Base-Backbone interact. energy: -0.422 local terms energy: -67.250377 where: bonds (distance) C4'-P energy: -12.217 bonds (distance) P-C4' energy: -15.295 flat angles C4'-P-C4' energy: -11.240 flat angles P-C4'-P energy: -8.609 tors. eta vs tors. theta energy: -19.890 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: 2, replica: 7 ===================================== Write number: 383 Temperature: 0.950000 Total energy: -196.786731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.786731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.786731 (E_RNA) where: Base-Base interactions energy: -128.183 where: short stacking energy: -56.841 Base-Backbone interact. energy: -0.365 local terms energy: -68.238583 where: bonds (distance) C4'-P energy: -11.350 bonds (distance) P-C4' energy: -15.998 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -12.421 tors. eta vs tors. theta energy: -14.466 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: 10 ===================================== Write number: 383 Temperature: 1.000000 Total energy: -203.952526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.952526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.952526 (E_RNA) where: Base-Base interactions energy: -131.602 where: short stacking energy: -59.620 Base-Backbone interact. energy: -0.490 local terms energy: -71.860221 where: bonds (distance) C4'-P energy: -11.477 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -15.358 flat angles P-C4'-P energy: -12.398 tors. eta vs tors. theta energy: -17.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 383 Temperature: 1.050000 Total energy: -185.850449 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.850449 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.850449 (E_RNA) where: Base-Base interactions energy: -117.265 where: short stacking energy: -53.751 Base-Backbone interact. energy: 0.157 local terms energy: -68.741778 where: bonds (distance) C4'-P energy: -12.263 bonds (distance) P-C4' energy: -13.924 flat angles C4'-P-C4' energy: -13.047 flat angles P-C4'-P energy: -12.067 tors. eta vs tors. theta energy: -17.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 383 Temperature: 1.100000 Total energy: -190.435981 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.435981 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.435981 (E_RNA) where: Base-Base interactions energy: -127.346 where: short stacking energy: -58.702 Base-Backbone interact. energy: -0.082 local terms energy: -63.007917 where: bonds (distance) C4'-P energy: -9.269 bonds (distance) P-C4' energy: -12.492 flat angles C4'-P-C4' energy: -15.893 flat angles P-C4'-P energy: -7.354 tors. eta vs tors. theta energy: -18.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 383 Temperature: 1.150000 Total energy: -196.766535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.766535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.766535 (E_RNA) where: Base-Base interactions energy: -133.688 where: short stacking energy: -64.090 Base-Backbone interact. energy: -0.530 local terms energy: -62.548908 where: bonds (distance) C4'-P energy: -11.158 bonds (distance) P-C4' energy: -5.822 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -11.136 tors. eta vs tors. theta energy: -20.962 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: 5 ===================================== Write number: 383 Temperature: 1.200000 Total energy: -189.061163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.061163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.061163 (E_RNA) where: Base-Base interactions energy: -127.578 where: short stacking energy: -54.238 Base-Backbone interact. energy: -0.032 local terms energy: -61.451636 where: bonds (distance) C4'-P energy: -15.723 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -13.891 flat angles P-C4'-P energy: -4.551 tors. eta vs tors. theta energy: -12.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 383 Temperature: 1.250000 Total energy: -89.444898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.444898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.444898 (E_RNA) where: Base-Base interactions energy: -38.279 where: short stacking energy: -38.279 Base-Backbone interact. energy: -0.099 local terms energy: -51.066318 where: bonds (distance) C4'-P energy: -13.827 bonds (distance) P-C4' energy: -14.106 flat angles C4'-P-C4' energy: -7.098 flat angles P-C4'-P energy: -7.347 tors. eta vs tors. theta energy: -8.688 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 4 ===================================== Write number: 383 Temperature: 1.300000 Total energy: -168.205744 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.205744 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.205744 (E_RNA) where: Base-Base interactions energy: -114.229 where: short stacking energy: -52.609 Base-Backbone interact. energy: -0.185 local terms energy: -53.790915 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -11.488 flat angles C4'-P-C4' energy: -10.019 flat angles P-C4'-P energy: -4.143 tors. eta vs tors. theta energy: -15.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 383 Temperature: 1.350000 Total energy: -75.509363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.509363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.509363 (E_RNA) where: Base-Base interactions energy: -38.453 where: short stacking energy: -21.393 Base-Backbone interact. energy: -0.226 local terms energy: -36.830341 where: bonds (distance) C4'-P energy: -12.068 bonds (distance) P-C4' energy: -12.857 flat angles C4'-P-C4' energy: -4.861 flat angles P-C4'-P energy: -8.008 tors. eta vs tors. theta energy: 0.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 384 Temperature: 0.900000 Total energy: -203.645648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.645648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.645648 (E_RNA) where: Base-Base interactions energy: -136.617 where: short stacking energy: -63.340 Base-Backbone interact. energy: -0.065 local terms energy: -66.963669 where: bonds (distance) C4'-P energy: -14.486 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -15.959 flat angles P-C4'-P energy: -7.430 tors. eta vs tors. theta energy: -17.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 384 Temperature: 0.950000 Total energy: -211.053505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.053505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.053505 (E_RNA) where: Base-Base interactions energy: -139.885 where: short stacking energy: -61.134 Base-Backbone interact. energy: -0.003 local terms energy: -71.165111 where: bonds (distance) C4'-P energy: -9.083 bonds (distance) P-C4' energy: -16.156 flat angles C4'-P-C4' energy: -15.405 flat angles P-C4'-P energy: -11.729 tors. eta vs tors. theta energy: -18.791 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: 2 ===================================== Write number: 384 Temperature: 1.000000 Total energy: -188.648710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.648710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.648710 (E_RNA) where: Base-Base interactions energy: -120.603 where: short stacking energy: -52.803 Base-Backbone interact. energy: -0.110 local terms energy: -67.935120 where: bonds (distance) C4'-P energy: -13.236 bonds (distance) P-C4' energy: -15.505 flat angles C4'-P-C4' energy: -14.871 flat angles P-C4'-P energy: -11.394 tors. eta vs tors. theta energy: -12.930 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: 4, replica: 10 ===================================== Write number: 384 Temperature: 1.050000 Total energy: -191.314566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.314566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.314566 (E_RNA) where: Base-Base interactions energy: -125.753 where: short stacking energy: -55.470 Base-Backbone interact. energy: -0.632 local terms energy: -64.929841 where: bonds (distance) C4'-P energy: -12.819 bonds (distance) P-C4' energy: -13.869 flat angles C4'-P-C4' energy: -13.271 flat angles P-C4'-P energy: -10.209 tors. eta vs tors. theta energy: -14.762 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: 5, replica: 9 ===================================== Write number: 384 Temperature: 1.100000 Total energy: -190.574549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.574549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.574549 (E_RNA) where: Base-Base interactions energy: -131.486 where: short stacking energy: -58.807 Base-Backbone interact. energy: -0.068 local terms energy: -59.020445 where: bonds (distance) C4'-P energy: -12.362 bonds (distance) P-C4' energy: -16.193 flat angles C4'-P-C4' energy: -9.125 flat angles P-C4'-P energy: -5.776 tors. eta vs tors. theta energy: -15.564 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: 1 ===================================== Write number: 384 Temperature: 1.150000 Total energy: -194.809924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.809924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.809924 (E_RNA) where: Base-Base interactions energy: -123.581 where: short stacking energy: -58.374 Base-Backbone interact. energy: -0.682 local terms energy: -70.546815 where: bonds (distance) C4'-P energy: -11.761 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -14.974 flat angles P-C4'-P energy: -10.190 tors. eta vs tors. theta energy: -18.127 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: 5 ===================================== Write number: 384 Temperature: 1.200000 Total energy: -173.021856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.021856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.021856 (E_RNA) where: Base-Base interactions energy: -112.885 where: short stacking energy: -44.647 Base-Backbone interact. energy: -0.299 local terms energy: -59.837409 where: bonds (distance) C4'-P energy: -14.399 bonds (distance) P-C4' energy: -14.485 flat angles C4'-P-C4' energy: -12.284 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -11.946 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 384 Temperature: 1.250000 Total energy: -84.665550 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.665550 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.665550 (E_RNA) where: Base-Base interactions energy: -32.979 where: short stacking energy: -32.979 Base-Backbone interact. energy: 0.306 local terms energy: -51.992506 where: bonds (distance) C4'-P energy: -7.846 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -11.919 flat angles P-C4'-P energy: -10.624 tors. eta vs tors. theta energy: -7.986 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 384 Temperature: 1.300000 Total energy: -80.744201 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.744201 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.744201 (E_RNA) where: Base-Base interactions energy: -31.899 where: short stacking energy: -32.099 Base-Backbone interact. energy: -0.180 local terms energy: -48.665699 where: bonds (distance) C4'-P energy: -10.077 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -14.920 flat angles P-C4'-P energy: -5.652 tors. eta vs tors. theta energy: -4.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 384 Temperature: 1.350000 Total energy: -165.391127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.391127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.391127 (E_RNA) where: Base-Base interactions energy: -111.445 where: short stacking energy: -50.137 Base-Backbone interact. energy: -0.169 local terms energy: -53.777189 where: bonds (distance) C4'-P energy: -9.054 bonds (distance) P-C4' energy: -16.904 flat angles C4'-P-C4' energy: -9.815 flat angles P-C4'-P energy: -11.356 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: 1, replica: 7 ===================================== Write number: 385 Temperature: 0.900000 Total energy: -213.630836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.630836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.630836 (E_RNA) where: Base-Base interactions energy: -138.344 where: short stacking energy: -60.638 Base-Backbone interact. energy: -0.001 local terms energy: -75.286217 where: bonds (distance) C4'-P energy: -15.919 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -12.902 flat angles P-C4'-P energy: -10.999 tors. eta vs tors. theta energy: -21.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 385 Temperature: 0.950000 Total energy: -205.181421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.181421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.181421 (E_RNA) where: Base-Base interactions energy: -141.260 where: short stacking energy: -70.255 Base-Backbone interact. energy: -0.000 local terms energy: -63.921075 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -11.535 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -16.831 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 385 Temperature: 1.000000 Total energy: -197.533110 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.533110 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.533110 (E_RNA) where: Base-Base interactions energy: -131.635 where: short stacking energy: -55.707 Base-Backbone interact. energy: -0.063 local terms energy: -65.835191 where: bonds (distance) C4'-P energy: -13.293 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -13.433 flat angles P-C4'-P energy: -9.336 tors. eta vs tors. theta energy: -15.889 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: 10 ===================================== Write number: 385 Temperature: 1.050000 Total energy: -193.285488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.285488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.285488 (E_RNA) where: Base-Base interactions energy: -128.304 where: short stacking energy: -56.261 Base-Backbone interact. energy: -0.116 local terms energy: -64.865815 where: bonds (distance) C4'-P energy: -13.501 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -14.417 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -13.692 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: 385 Temperature: 1.100000 Total energy: -186.015333 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.015333 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.015333 (E_RNA) where: Base-Base interactions energy: -122.953 where: short stacking energy: -60.410 Base-Backbone interact. energy: -0.051 local terms energy: -63.011725 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -11.244 flat angles C4'-P-C4' energy: -13.588 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -14.539 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 385 Temperature: 1.150000 Total energy: -172.290957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.290957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.290957 (E_RNA) where: Base-Base interactions energy: -113.691 where: short stacking energy: -50.299 Base-Backbone interact. energy: -0.220 local terms energy: -58.379907 where: bonds (distance) C4'-P energy: -8.259 bonds (distance) P-C4' energy: -15.484 flat angles C4'-P-C4' energy: -12.569 flat angles P-C4'-P energy: -10.928 tors. eta vs tors. theta energy: -11.140 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: 1 ===================================== Write number: 385 Temperature: 1.200000 Total energy: -161.058839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.058839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.058839 (E_RNA) where: Base-Base interactions energy: -101.543 where: short stacking energy: -48.106 Base-Backbone interact. energy: -0.024 local terms energy: -59.492073 where: bonds (distance) C4'-P energy: -11.559 bonds (distance) P-C4' energy: -11.176 flat angles C4'-P-C4' energy: -13.766 flat angles P-C4'-P energy: -10.636 tors. eta vs tors. theta energy: -12.355 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 385 Temperature: 1.250000 Total energy: -93.098650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -93.098650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -93.098650 (E_RNA) where: Base-Base interactions energy: -39.590 where: short stacking energy: -38.378 Base-Backbone interact. energy: -0.007 local terms energy: -53.501167 where: bonds (distance) C4'-P energy: -10.711 bonds (distance) P-C4' energy: -12.835 flat angles C4'-P-C4' energy: -11.735 flat angles P-C4'-P energy: -9.788 tors. eta vs tors. theta energy: -8.432 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 385 Temperature: 1.300000 Total energy: -79.052693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.052693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.052693 (E_RNA) where: Base-Base interactions energy: -30.879 where: short stacking energy: -28.467 Base-Backbone interact. energy: -0.324 local terms energy: -47.849809 where: bonds (distance) C4'-P energy: -9.240 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -10.111 flat angles P-C4'-P energy: -10.508 tors. eta vs tors. theta energy: -4.051 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 4 ===================================== Write number: 385 Temperature: 1.350000 Total energy: -169.039257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.039257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.039257 (E_RNA) where: Base-Base interactions energy: -107.658 where: short stacking energy: -44.777 Base-Backbone interact. energy: -0.099 local terms energy: -61.282292 where: bonds (distance) C4'-P energy: -10.864 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -13.530 flat angles P-C4'-P energy: -10.659 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: 1, replica: 6 ===================================== Write number: 386 Temperature: 0.900000 Total energy: -210.290203 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.290203 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.290203 (E_RNA) where: Base-Base interactions energy: -135.912 where: short stacking energy: -63.346 Base-Backbone interact. energy: -0.003 local terms energy: -74.375110 where: bonds (distance) C4'-P energy: -12.379 bonds (distance) P-C4' energy: -16.364 flat angles C4'-P-C4' energy: -13.570 flat angles P-C4'-P energy: -12.689 tors. eta vs tors. theta energy: -19.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 386 Temperature: 0.950000 Total energy: -206.567579 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.567579 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.567579 (E_RNA) where: Base-Base interactions energy: -137.484 where: short stacking energy: -64.162 Base-Backbone interact. energy: -0.001 local terms energy: -69.083381 where: bonds (distance) C4'-P energy: -13.886 bonds (distance) P-C4' energy: -11.030 flat angles C4'-P-C4' energy: -12.122 flat angles P-C4'-P energy: -13.094 tors. eta vs tors. theta energy: -18.952 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: 10 ===================================== Write number: 386 Temperature: 1.000000 Total energy: -199.077748 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.077748 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.077748 (E_RNA) where: Base-Base interactions energy: -135.288 where: short stacking energy: -64.455 Base-Backbone interact. energy: -0.001 local terms energy: -63.787915 where: bonds (distance) C4'-P energy: -12.321 bonds (distance) P-C4' energy: -15.284 flat angles C4'-P-C4' energy: -11.455 flat angles P-C4'-P energy: -9.746 tors. eta vs tors. theta energy: -14.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 386 Temperature: 1.050000 Total energy: -189.102559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.102559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.102559 (E_RNA) where: Base-Base interactions energy: -129.109 where: short stacking energy: -59.908 Base-Backbone interact. energy: -0.000 local terms energy: -59.993392 where: bonds (distance) C4'-P energy: -10.085 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -14.232 flat angles P-C4'-P energy: -6.801 tors. eta vs tors. theta energy: -15.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 386 Temperature: 1.100000 Total energy: -186.368046 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.368046 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.368046 (E_RNA) where: Base-Base interactions energy: -126.072 where: short stacking energy: -59.550 Base-Backbone interact. energy: -0.024 local terms energy: -60.271826 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -11.500 flat angles C4'-P-C4' energy: -13.031 flat angles P-C4'-P energy: -7.410 tors. eta vs tors. theta energy: -15.353 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: 5 ===================================== Write number: 386 Temperature: 1.150000 Total energy: -173.306596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.306596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.306596 (E_RNA) where: Base-Base interactions energy: -115.926 where: short stacking energy: -42.939 Base-Backbone interact. energy: 0.075 local terms energy: -57.455108 where: bonds (distance) C4'-P energy: -12.978 bonds (distance) P-C4' energy: -14.933 flat angles C4'-P-C4' energy: -12.977 flat angles P-C4'-P energy: -10.047 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: 1 ===================================== Write number: 386 Temperature: 1.200000 Total energy: -180.006570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.006570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.006570 (E_RNA) where: Base-Base interactions energy: -113.507 where: short stacking energy: -57.314 Base-Backbone interact. energy: -0.075 local terms energy: -66.425259 where: bonds (distance) C4'-P energy: -11.013 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -14.641 flat angles P-C4'-P energy: -9.998 tors. eta vs tors. theta energy: -15.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 386 Temperature: 1.250000 Total energy: -83.608894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.608894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.608894 (E_RNA) where: Base-Base interactions energy: -42.182 where: short stacking energy: -35.286 Base-Backbone interact. energy: 2.551 local terms energy: -43.978182 where: bonds (distance) C4'-P energy: -9.348 bonds (distance) P-C4' energy: -14.395 flat angles C4'-P-C4' energy: -9.155 flat angles P-C4'-P energy: -5.939 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: 9, replica: 4 ===================================== Write number: 386 Temperature: 1.300000 Total energy: -168.671906 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.671906 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.671906 (E_RNA) where: Base-Base interactions energy: -106.112 where: short stacking energy: -44.693 Base-Backbone interact. energy: -0.121 local terms energy: -62.438247 where: bonds (distance) C4'-P energy: -13.418 bonds (distance) P-C4' energy: -10.788 flat angles C4'-P-C4' energy: -15.395 flat angles P-C4'-P energy: -8.743 tors. eta vs tors. theta energy: -14.094 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 386 Temperature: 1.350000 Total energy: -76.876958 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.876958 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.876958 (E_RNA) where: Base-Base interactions energy: -34.240 where: short stacking energy: -29.160 Base-Backbone interact. energy: -0.133 local terms energy: -42.504545 where: bonds (distance) C4'-P energy: -11.104 bonds (distance) P-C4' energy: -9.815 flat angles C4'-P-C4' energy: -13.334 flat angles P-C4'-P energy: -8.052 tors. eta vs tors. theta energy: -0.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 387 Temperature: 0.900000 Total energy: -209.650985 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.650985 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.650985 (E_RNA) where: Base-Base interactions energy: -139.077 where: short stacking energy: -63.139 Base-Backbone interact. energy: -0.095 local terms energy: -70.479715 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -12.651 tors. eta vs tors. theta energy: -16.790 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 387 Temperature: 0.950000 Total energy: -214.912007 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.912007 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.912007 (E_RNA) where: Base-Base interactions energy: -146.070 where: short stacking energy: -71.516 Base-Backbone interact. energy: -0.068 local terms energy: -68.774662 where: bonds (distance) C4'-P energy: -12.759 bonds (distance) P-C4' energy: -14.626 flat angles C4'-P-C4' energy: -14.174 flat angles P-C4'-P energy: -9.515 tors. eta vs tors. theta energy: -17.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 387 Temperature: 1.000000 Total energy: -193.987461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.987461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.987461 (E_RNA) where: Base-Base interactions energy: -131.740 where: short stacking energy: -60.809 Base-Backbone interact. energy: -0.105 local terms energy: -62.142481 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -12.868 flat angles C4'-P-C4' energy: -15.341 flat angles P-C4'-P energy: -5.829 tors. eta vs tors. theta energy: -15.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 387 Temperature: 1.050000 Total energy: -188.347568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.347568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.347568 (E_RNA) where: Base-Base interactions energy: -123.920 where: short stacking energy: -58.917 Base-Backbone interact. energy: -0.102 local terms energy: -64.325054 where: bonds (distance) C4'-P energy: -14.730 bonds (distance) P-C4' energy: -13.648 flat angles C4'-P-C4' energy: -12.684 flat angles P-C4'-P energy: -10.902 tors. eta vs tors. theta energy: -12.362 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 387 Temperature: 1.100000 Total energy: -186.758303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.758303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.758303 (E_RNA) where: Base-Base interactions energy: -121.703 where: short stacking energy: -53.358 Base-Backbone interact. energy: -0.110 local terms energy: -64.945647 where: bonds (distance) C4'-P energy: -9.206 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -16.303 flat angles P-C4'-P energy: -11.212 tors. eta vs tors. theta energy: -16.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 387 Temperature: 1.150000 Total energy: -200.511596 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.511596 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.511596 (E_RNA) where: Base-Base interactions energy: -132.699 where: short stacking energy: -63.905 Base-Backbone interact. energy: -0.005 local terms energy: -67.807522 where: bonds (distance) C4'-P energy: -15.066 bonds (distance) P-C4' energy: -9.126 flat angles C4'-P-C4' energy: -14.040 flat angles P-C4'-P energy: -9.956 tors. eta vs tors. theta energy: -19.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 387 Temperature: 1.200000 Total energy: -165.890431 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.890431 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.890431 (E_RNA) where: Base-Base interactions energy: -114.406 where: short stacking energy: -54.628 Base-Backbone interact. energy: -0.001 local terms energy: -51.483513 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -12.219 flat angles C4'-P-C4' energy: -10.487 flat angles P-C4'-P energy: -8.145 tors. eta vs tors. theta energy: -10.121 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: 387 Temperature: 1.250000 Total energy: -171.757916 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.757916 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.757916 (E_RNA) where: Base-Base interactions energy: -108.309 where: short stacking energy: -56.725 Base-Backbone interact. energy: 1.784 local terms energy: -65.233094 where: bonds (distance) C4'-P energy: -13.965 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -14.101 flat angles P-C4'-P energy: -8.044 tors. eta vs tors. theta energy: -13.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 387 Temperature: 1.300000 Total energy: -75.276901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.276901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.276901 (E_RNA) where: Base-Base interactions energy: -29.371 where: short stacking energy: -22.202 Base-Backbone interact. energy: -0.002 local terms energy: -45.903566 where: bonds (distance) C4'-P energy: -10.618 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -12.027 flat angles P-C4'-P energy: -3.121 tors. eta vs tors. theta energy: -6.419 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 387 Temperature: 1.350000 Total energy: -71.281117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.281117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.281117 (E_RNA) where: Base-Base interactions energy: -28.836 where: short stacking energy: -28.836 Base-Backbone interact. energy: -0.040 local terms energy: -42.404736 where: bonds (distance) C4'-P energy: -9.017 bonds (distance) P-C4' energy: -11.725 flat angles C4'-P-C4' energy: -9.909 flat angles P-C4'-P energy: -5.799 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: 1, replica: 6 ===================================== Write number: 388 Temperature: 0.900000 Total energy: -210.590678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.590678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.590678 (E_RNA) where: Base-Base interactions energy: -139.460 where: short stacking energy: -67.782 Base-Backbone interact. energy: -0.142 local terms energy: -70.988815 where: bonds (distance) C4'-P energy: -12.640 bonds (distance) P-C4' energy: -14.150 flat angles C4'-P-C4' energy: -15.267 flat angles P-C4'-P energy: -11.485 tors. eta vs tors. theta energy: -17.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 10 ===================================== Write number: 388 Temperature: 0.950000 Total energy: -211.975898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.975898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.975898 (E_RNA) where: Base-Base interactions energy: -139.521 where: short stacking energy: -60.780 Base-Backbone interact. energy: -0.281 local terms energy: -72.173882 where: bonds (distance) C4'-P energy: -12.831 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -12.420 flat angles P-C4'-P energy: -11.152 tors. eta vs tors. theta energy: -20.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 388 Temperature: 1.000000 Total energy: -201.439896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.439896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.439896 (E_RNA) where: Base-Base interactions energy: -133.063 where: short stacking energy: -56.739 Base-Backbone interact. energy: -0.090 local terms energy: -68.286495 where: bonds (distance) C4'-P energy: -12.806 bonds (distance) P-C4' energy: -15.343 flat angles C4'-P-C4' energy: -11.230 flat angles P-C4'-P energy: -9.685 tors. eta vs tors. theta energy: -19.222 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: 9 ===================================== Write number: 388 Temperature: 1.050000 Total energy: -199.110536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.110536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.110536 (E_RNA) where: Base-Base interactions energy: -130.254 where: short stacking energy: -54.325 Base-Backbone interact. energy: -0.280 local terms energy: -68.577024 where: bonds (distance) C4'-P energy: -13.997 bonds (distance) P-C4' energy: -12.788 flat angles C4'-P-C4' energy: -12.067 flat angles P-C4'-P energy: -10.827 tors. eta vs tors. theta energy: -18.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 388 Temperature: 1.100000 Total energy: -196.433577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.433577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.433577 (E_RNA) where: Base-Base interactions energy: -129.423 where: short stacking energy: -67.108 Base-Backbone interact. energy: -0.047 local terms energy: -66.964039 where: bonds (distance) C4'-P energy: -12.811 bonds (distance) P-C4' energy: -12.986 flat angles C4'-P-C4' energy: -14.159 flat angles P-C4'-P energy: -7.164 tors. eta vs tors. theta energy: -19.844 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 388 Temperature: 1.150000 Total energy: -182.789816 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.789816 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.789816 (E_RNA) where: Base-Base interactions energy: -125.060 where: short stacking energy: -55.441 Base-Backbone interact. energy: -0.328 local terms energy: -57.402444 where: bonds (distance) C4'-P energy: -8.545 bonds (distance) P-C4' energy: -15.451 flat angles C4'-P-C4' energy: -11.082 flat angles P-C4'-P energy: -6.458 tors. eta vs tors. theta energy: -15.867 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: 4 ===================================== Write number: 388 Temperature: 1.200000 Total energy: -179.374393 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.374393 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.374393 (E_RNA) where: Base-Base interactions energy: -116.126 where: short stacking energy: -53.447 Base-Backbone interact. energy: -0.053 local terms energy: -63.194676 where: bonds (distance) C4'-P energy: -13.870 bonds (distance) P-C4' energy: -10.442 flat angles C4'-P-C4' energy: -13.943 flat angles P-C4'-P energy: -9.539 tors. eta vs tors. theta energy: -15.400 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: 8, replica: 5 ===================================== Write number: 388 Temperature: 1.250000 Total energy: -165.165920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.165920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.165920 (E_RNA) where: Base-Base interactions energy: -104.358 where: short stacking energy: -49.148 Base-Backbone interact. energy: 0.315 local terms energy: -61.123016 where: bonds (distance) C4'-P energy: -7.138 bonds (distance) P-C4' energy: -15.742 flat angles C4'-P-C4' energy: -11.568 flat angles P-C4'-P energy: -11.294 tors. eta vs tors. theta energy: -15.380 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: 3 ===================================== Write number: 388 Temperature: 1.300000 Total energy: -75.976312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.976312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.976312 (E_RNA) where: Base-Base interactions energy: -28.311 where: short stacking energy: -28.311 Base-Backbone interact. energy: -0.026 local terms energy: -47.639978 where: bonds (distance) C4'-P energy: -13.032 bonds (distance) P-C4' energy: -12.855 flat angles C4'-P-C4' energy: -11.112 flat angles P-C4'-P energy: -4.553 tors. eta vs tors. theta energy: -6.088 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: 8 ===================================== Write number: 388 Temperature: 1.350000 Total energy: -70.850638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.850638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.850638 (E_RNA) where: Base-Base interactions energy: -22.950 where: short stacking energy: -20.687 Base-Backbone interact. energy: -0.218 local terms energy: -47.681919 where: bonds (distance) C4'-P energy: -9.352 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -13.718 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -0.205 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: 6 ===================================== Write number: 389 Temperature: 0.900000 Total energy: -212.750585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.750585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.750585 (E_RNA) where: Base-Base interactions energy: -144.089 where: short stacking energy: -65.880 Base-Backbone interact. energy: -0.040 local terms energy: -68.622114 where: bonds (distance) C4'-P energy: -13.154 bonds (distance) P-C4' energy: -12.985 flat angles C4'-P-C4' energy: -15.812 flat angles P-C4'-P energy: -7.182 tors. eta vs tors. theta energy: -19.490 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: 10 ===================================== Write number: 389 Temperature: 0.950000 Total energy: -203.011644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.011644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.011644 (E_RNA) where: Base-Base interactions energy: -139.899 where: short stacking energy: -61.492 Base-Backbone interact. energy: -0.159 local terms energy: -62.953660 where: bonds (distance) C4'-P energy: -12.463 bonds (distance) P-C4' energy: -10.827 flat angles C4'-P-C4' energy: -11.989 flat angles P-C4'-P energy: -10.998 tors. eta vs tors. theta energy: -16.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 389 Temperature: 1.000000 Total energy: -200.135387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.135387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.135387 (E_RNA) where: Base-Base interactions energy: -133.243 where: short stacking energy: -61.401 Base-Backbone interact. energy: -0.002 local terms energy: -66.890796 where: bonds (distance) C4'-P energy: -10.354 bonds (distance) P-C4' energy: -15.651 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -11.463 tors. eta vs tors. theta energy: -15.512 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: 2 ===================================== Write number: 389 Temperature: 1.050000 Total energy: -192.459423 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.459423 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.459423 (E_RNA) where: Base-Base interactions energy: -124.496 where: short stacking energy: -59.577 Base-Backbone interact. energy: -0.042 local terms energy: -67.921383 where: bonds (distance) C4'-P energy: -10.052 bonds (distance) P-C4' energy: -12.450 flat angles C4'-P-C4' energy: -12.406 flat angles P-C4'-P energy: -12.777 tors. eta vs tors. theta energy: -20.236 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 389 Temperature: 1.100000 Total energy: -187.463582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.463582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.463582 (E_RNA) where: Base-Base interactions energy: -122.754 where: short stacking energy: -54.443 Base-Backbone interact. energy: -0.112 local terms energy: -64.597575 where: bonds (distance) C4'-P energy: -10.644 bonds (distance) P-C4' energy: -13.665 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -11.687 tors. eta vs tors. theta energy: -15.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 389 Temperature: 1.150000 Total energy: -181.751536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.751536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.751536 (E_RNA) where: Base-Base interactions energy: -117.860 where: short stacking energy: -57.849 Base-Backbone interact. energy: -0.124 local terms energy: -63.767643 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -14.300 flat angles C4'-P-C4' energy: -16.011 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -11.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 389 Temperature: 1.200000 Total energy: -181.186251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.186251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.186251 (E_RNA) where: Base-Base interactions energy: -123.861 where: short stacking energy: -57.605 Base-Backbone interact. energy: 0.946 local terms energy: -58.271051 where: bonds (distance) C4'-P energy: -14.950 bonds (distance) P-C4' energy: -8.995 flat angles C4'-P-C4' energy: -8.308 flat angles P-C4'-P energy: -11.469 tors. eta vs tors. theta energy: -14.551 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 389 Temperature: 1.250000 Total energy: -168.967478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.967478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.967478 (E_RNA) where: Base-Base interactions energy: -110.996 where: short stacking energy: -54.494 Base-Backbone interact. energy: -0.050 local terms energy: -57.921437 where: bonds (distance) C4'-P energy: -12.341 bonds (distance) P-C4' energy: -13.038 flat angles C4'-P-C4' energy: -13.042 flat angles P-C4'-P energy: -4.046 tors. eta vs tors. theta energy: -15.454 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: 3 ===================================== Write number: 389 Temperature: 1.300000 Total energy: -78.382630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.382630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.382630 (E_RNA) where: Base-Base interactions energy: -29.237 where: short stacking energy: -29.237 Base-Backbone interact. energy: -0.577 local terms energy: -48.568500 where: bonds (distance) C4'-P energy: -9.916 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -13.247 flat angles P-C4'-P energy: -6.352 tors. eta vs tors. theta energy: -3.075 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 389 Temperature: 1.350000 Total energy: -74.524789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.524789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.524789 (E_RNA) where: Base-Base interactions energy: -30.920 where: short stacking energy: -30.920 Base-Backbone interact. energy: -0.170 local terms energy: -43.434266 where: bonds (distance) C4'-P energy: -11.517 bonds (distance) P-C4' energy: -9.311 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -11.385 tors. eta vs tors. theta energy: 0.128 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 390 Temperature: 0.900000 Total energy: -207.298702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.298702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.298702 (E_RNA) where: Base-Base interactions energy: -138.701 where: short stacking energy: -65.525 Base-Backbone interact. energy: -0.093 local terms energy: -68.504359 where: bonds (distance) C4'-P energy: -13.210 bonds (distance) P-C4' energy: -14.512 flat angles C4'-P-C4' energy: -12.223 flat angles P-C4'-P energy: -11.299 tors. eta vs tors. theta energy: -17.260 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 390 Temperature: 0.950000 Total energy: -209.016276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.016276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.016276 (E_RNA) where: Base-Base interactions energy: -137.293 where: short stacking energy: -64.654 Base-Backbone interact. energy: -0.075 local terms energy: -71.647652 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -14.639 flat angles C4'-P-C4' energy: -13.133 flat angles P-C4'-P energy: -11.627 tors. eta vs tors. theta energy: -18.967 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: 2 ===================================== Write number: 390 Temperature: 1.000000 Total energy: -199.094154 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.094154 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.094154 (E_RNA) where: Base-Base interactions energy: -133.793 where: short stacking energy: -59.505 Base-Backbone interact. energy: -0.488 local terms energy: -64.813297 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -13.165 flat angles C4'-P-C4' energy: -11.162 flat angles P-C4'-P energy: -10.238 tors. eta vs tors. theta energy: -17.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 390 Temperature: 1.050000 Total energy: -200.592626 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.592626 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.592626 (E_RNA) where: Base-Base interactions energy: -130.788 where: short stacking energy: -60.554 Base-Backbone interact. energy: -0.007 local terms energy: -69.797926 where: bonds (distance) C4'-P energy: -11.162 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -15.038 flat angles P-C4'-P energy: -11.766 tors. eta vs tors. theta energy: -16.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 390 Temperature: 1.100000 Total energy: -189.638257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.638257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.638257 (E_RNA) where: Base-Base interactions energy: -123.150 where: short stacking energy: -59.390 Base-Backbone interact. energy: -0.484 local terms energy: -66.003775 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -13.941 flat angles C4'-P-C4' energy: -13.768 flat angles P-C4'-P energy: -10.632 tors. eta vs tors. theta energy: -15.438 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 390 Temperature: 1.150000 Total energy: -176.212274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.212274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.212274 (E_RNA) where: Base-Base interactions energy: -118.016 where: short stacking energy: -53.115 Base-Backbone interact. energy: -0.185 local terms energy: -58.011795 where: bonds (distance) C4'-P energy: -9.274 bonds (distance) P-C4' energy: -13.832 flat angles C4'-P-C4' energy: -13.732 flat angles P-C4'-P energy: -8.148 tors. eta vs tors. theta energy: -13.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 390 Temperature: 1.200000 Total energy: -165.101865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.101865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.101865 (E_RNA) where: Base-Base interactions energy: -107.456 where: short stacking energy: -45.614 Base-Backbone interact. energy: -0.138 local terms energy: -57.507876 where: bonds (distance) C4'-P energy: -15.202 bonds (distance) P-C4' energy: -8.621 flat angles C4'-P-C4' energy: -10.993 flat angles P-C4'-P energy: -11.838 tors. eta vs tors. theta energy: -10.854 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 390 Temperature: 1.250000 Total energy: -172.097105 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.097105 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.097105 (E_RNA) where: Base-Base interactions energy: -109.541 where: short stacking energy: -53.651 Base-Backbone interact. energy: -0.221 local terms energy: -62.335594 where: bonds (distance) C4'-P energy: -9.493 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -16.544 flat angles P-C4'-P energy: -11.268 tors. eta vs tors. theta energy: -13.807 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 390 Temperature: 1.300000 Total energy: -105.682327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -105.682327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -105.682327 (E_RNA) where: Base-Base interactions energy: -49.854 where: short stacking energy: -25.933 Base-Backbone interact. energy: -0.598 local terms energy: -55.230468 where: bonds (distance) C4'-P energy: -15.571 bonds (distance) P-C4' energy: -13.964 flat angles C4'-P-C4' energy: -12.123 flat angles P-C4'-P energy: -9.577 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: 3 ===================================== Write number: 390 Temperature: 1.350000 Total energy: -74.933454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.933454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.933454 (E_RNA) where: Base-Base interactions energy: -26.889 where: short stacking energy: -17.433 Base-Backbone interact. energy: -0.231 local terms energy: -47.813601 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -9.773 flat angles C4'-P-C4' energy: -14.461 flat angles P-C4'-P energy: -8.130 tors. eta vs tors. theta energy: -2.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 10 ===================================== Write number: 391 Temperature: 0.900000 Total energy: -210.796963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.796963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.796963 (E_RNA) where: Base-Base interactions energy: -137.010 where: short stacking energy: -66.054 Base-Backbone interact. energy: -0.070 local terms energy: -73.716548 where: bonds (distance) C4'-P energy: -15.356 bonds (distance) P-C4' energy: -10.585 flat angles C4'-P-C4' energy: -14.629 flat angles P-C4'-P energy: -12.706 tors. eta vs tors. theta energy: -20.440 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 391 Temperature: 0.950000 Total energy: -208.711709 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.711709 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.711709 (E_RNA) where: Base-Base interactions energy: -138.132 where: short stacking energy: -61.985 Base-Backbone interact. energy: -0.002 local terms energy: -70.577667 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -15.196 flat angles C4'-P-C4' energy: -11.449 flat angles P-C4'-P energy: -12.085 tors. eta vs tors. theta energy: -17.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 391 Temperature: 1.000000 Total energy: -195.990163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.990163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.990163 (E_RNA) where: Base-Base interactions energy: -123.660 where: short stacking energy: -58.298 Base-Backbone interact. energy: -0.007 local terms energy: -72.322535 where: bonds (distance) C4'-P energy: -14.204 bonds (distance) P-C4' energy: -15.509 flat angles C4'-P-C4' energy: -14.310 flat angles P-C4'-P energy: -11.156 tors. eta vs tors. theta energy: -17.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 391 Temperature: 1.050000 Total energy: -198.329302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.329302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.329302 (E_RNA) where: Base-Base interactions energy: -130.420 where: short stacking energy: -63.484 Base-Backbone interact. energy: -0.000 local terms energy: -67.908929 where: bonds (distance) C4'-P energy: -11.484 bonds (distance) P-C4' energy: -14.026 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -7.295 tors. eta vs tors. theta energy: -20.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 391 Temperature: 1.100000 Total energy: -184.116929 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.116929 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.116929 (E_RNA) where: Base-Base interactions energy: -120.255 where: short stacking energy: -51.664 Base-Backbone interact. energy: -0.090 local terms energy: -63.771866 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -14.268 flat angles C4'-P-C4' energy: -12.253 flat angles P-C4'-P energy: -10.653 tors. eta vs tors. theta energy: -11.711 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 391 Temperature: 1.150000 Total energy: -177.793161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.793161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.793161 (E_RNA) where: Base-Base interactions energy: -112.467 where: short stacking energy: -45.044 Base-Backbone interact. energy: -0.079 local terms energy: -65.246686 where: bonds (distance) C4'-P energy: -12.532 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -14.393 flat angles P-C4'-P energy: -7.938 tors. eta vs tors. theta energy: -14.939 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: 4 ===================================== Write number: 391 Temperature: 1.200000 Total energy: -173.499936 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.499936 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.499936 (E_RNA) where: Base-Base interactions energy: -120.863 where: short stacking energy: -60.656 Base-Backbone interact. energy: -0.020 local terms energy: -52.616144 where: bonds (distance) C4'-P energy: -10.673 bonds (distance) P-C4' energy: -10.083 flat angles C4'-P-C4' energy: -9.932 flat angles P-C4'-P energy: -6.680 tors. eta vs tors. theta energy: -15.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 391 Temperature: 1.250000 Total energy: -173.911444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.911444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.911444 (E_RNA) where: Base-Base interactions energy: -108.339 where: short stacking energy: -47.176 Base-Backbone interact. energy: 1.166 local terms energy: -66.738657 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -16.467 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -10.370 tors. eta vs tors. theta energy: -13.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 391 Temperature: 1.300000 Total energy: -97.350769 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.350769 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.350769 (E_RNA) where: Base-Base interactions energy: -53.242 where: short stacking energy: -28.105 Base-Backbone interact. energy: -0.360 local terms energy: -43.749357 where: bonds (distance) C4'-P energy: -10.383 bonds (distance) P-C4' energy: -11.873 flat angles C4'-P-C4' energy: -14.483 flat angles P-C4'-P energy: -6.377 tors. eta vs tors. theta energy: -0.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 391 Temperature: 1.350000 Total energy: -77.842515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.842515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.842515 (E_RNA) where: Base-Base interactions energy: -31.824 where: short stacking energy: -31.440 Base-Backbone interact. energy: -0.039 local terms energy: -45.979702 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -15.913 flat angles C4'-P-C4' energy: -11.561 flat angles P-C4'-P energy: -2.216 tors. eta vs tors. theta energy: -3.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 392 Temperature: 0.900000 Total energy: -212.940589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.940589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.940589 (E_RNA) where: Base-Base interactions energy: -139.298 where: short stacking energy: -70.929 Base-Backbone interact. energy: -0.412 local terms energy: -73.230368 where: bonds (distance) C4'-P energy: -14.019 bonds (distance) P-C4' energy: -13.285 flat angles C4'-P-C4' energy: -13.922 flat angles P-C4'-P energy: -11.710 tors. eta vs tors. theta energy: -20.294 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: 10 ===================================== Write number: 392 Temperature: 0.950000 Total energy: -205.970797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.970797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.970797 (E_RNA) where: Base-Base interactions energy: -137.922 where: short stacking energy: -67.410 Base-Backbone interact. energy: -0.014 local terms energy: -68.034163 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -13.476 flat angles C4'-P-C4' energy: -13.933 flat angles P-C4'-P energy: -7.771 tors. eta vs tors. theta energy: -19.762 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: 3, replica: 9 ===================================== Write number: 392 Temperature: 1.000000 Total energy: -203.238871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.238871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.238871 (E_RNA) where: Base-Base interactions energy: -132.199 where: short stacking energy: -59.731 Base-Backbone interact. energy: -0.000 local terms energy: -71.039560 where: bonds (distance) C4'-P energy: -15.020 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -11.744 flat angles P-C4'-P energy: -7.737 tors. eta vs tors. theta energy: -21.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 392 Temperature: 1.050000 Total energy: -193.535151 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.535151 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.535151 (E_RNA) where: Base-Base interactions energy: -132.583 where: short stacking energy: -58.687 Base-Backbone interact. energy: -0.180 local terms energy: -60.772348 where: bonds (distance) C4'-P energy: -13.104 bonds (distance) P-C4' energy: -14.396 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -7.609 tors. eta vs tors. theta energy: -14.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 392 Temperature: 1.100000 Total energy: -183.122104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.122104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.122104 (E_RNA) where: Base-Base interactions energy: -109.543 where: short stacking energy: -49.707 Base-Backbone interact. energy: -0.749 local terms energy: -72.830239 where: bonds (distance) C4'-P energy: -14.669 bonds (distance) P-C4' energy: -15.603 flat angles C4'-P-C4' energy: -15.984 flat angles P-C4'-P energy: -12.670 tors. eta vs tors. theta energy: -13.904 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 392 Temperature: 1.150000 Total energy: -181.472650 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.472650 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.472650 (E_RNA) where: Base-Base interactions energy: -122.730 where: short stacking energy: -59.646 Base-Backbone interact. energy: 0.157 local terms energy: -58.900006 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -11.981 flat angles C4'-P-C4' energy: -9.669 flat angles P-C4'-P energy: -10.569 tors. eta vs tors. theta energy: -14.662 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 392 Temperature: 1.200000 Total energy: -161.659401 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.659401 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.659401 (E_RNA) where: Base-Base interactions energy: -106.581 where: short stacking energy: -57.901 Base-Backbone interact. energy: -0.001 local terms energy: -55.077337 where: bonds (distance) C4'-P energy: -9.800 bonds (distance) P-C4' energy: -10.720 flat angles C4'-P-C4' energy: -15.121 flat angles P-C4'-P energy: -5.851 tors. eta vs tors. theta energy: -13.585 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 392 Temperature: 1.250000 Total energy: -173.127889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.127889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.127889 (E_RNA) where: Base-Base interactions energy: -116.720 where: short stacking energy: -55.904 Base-Backbone interact. energy: -0.102 local terms energy: -56.305668 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -10.534 flat angles C4'-P-C4' energy: -13.584 flat angles P-C4'-P energy: -9.014 tors. eta vs tors. theta energy: -8.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 392 Temperature: 1.300000 Total energy: -74.799257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.799257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.799257 (E_RNA) where: Base-Base interactions energy: -29.192 where: short stacking energy: -15.441 Base-Backbone interact. energy: -0.311 local terms energy: -45.296519 where: bonds (distance) C4'-P energy: -9.571 bonds (distance) P-C4' energy: -16.865 flat angles C4'-P-C4' energy: -10.707 flat angles P-C4'-P energy: -10.023 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: 10, replica: 8 ===================================== Write number: 392 Temperature: 1.350000 Total energy: -70.027215 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.027215 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.027215 (E_RNA) where: Base-Base interactions energy: -31.861 where: short stacking energy: -31.830 Base-Backbone interact. energy: -0.005 local terms energy: -38.161686 where: bonds (distance) C4'-P energy: -8.284 bonds (distance) P-C4' energy: -11.940 flat angles C4'-P-C4' energy: -12.962 flat angles P-C4'-P energy: -1.783 tors. eta vs tors. theta energy: -3.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 393 Temperature: 0.900000 Total energy: -212.008570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.008570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.008570 (E_RNA) where: Base-Base interactions energy: -142.628 where: short stacking energy: -63.878 Base-Backbone interact. energy: -0.002 local terms energy: -69.378892 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -13.617 flat angles C4'-P-C4' energy: -11.780 flat angles P-C4'-P energy: -11.242 tors. eta vs tors. theta energy: -18.767 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: 2, replica: 9 ===================================== Write number: 393 Temperature: 0.950000 Total energy: -212.043834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.043834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.043834 (E_RNA) where: Base-Base interactions energy: -138.265 where: short stacking energy: -59.574 Base-Backbone interact. energy: -0.249 local terms energy: -73.529649 where: bonds (distance) C4'-P energy: -15.911 bonds (distance) P-C4' energy: -15.730 flat angles C4'-P-C4' energy: -11.840 flat angles P-C4'-P energy: -11.690 tors. eta vs tors. theta energy: -18.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 10 ===================================== Write number: 393 Temperature: 1.000000 Total energy: -192.652529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.652529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.652529 (E_RNA) where: Base-Base interactions energy: -124.100 where: short stacking energy: -59.852 Base-Backbone interact. energy: -0.294 local terms energy: -68.258159 where: bonds (distance) C4'-P energy: -11.059 bonds (distance) P-C4' energy: -12.179 flat angles C4'-P-C4' energy: -14.821 flat angles P-C4'-P energy: -12.256 tors. eta vs tors. theta energy: -17.943 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: 5 ===================================== Write number: 393 Temperature: 1.050000 Total energy: -188.862733 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.862733 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.862733 (E_RNA) where: Base-Base interactions energy: -129.374 where: short stacking energy: -54.155 Base-Backbone interact. energy: -0.392 local terms energy: -59.096614 where: bonds (distance) C4'-P energy: -13.111 bonds (distance) P-C4' energy: -11.908 flat angles C4'-P-C4' energy: -12.372 flat angles P-C4'-P energy: -11.419 tors. eta vs tors. theta energy: -10.286 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: 2 ===================================== Write number: 393 Temperature: 1.100000 Total energy: -191.588513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.588513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.588513 (E_RNA) where: Base-Base interactions energy: -126.133 where: short stacking energy: -55.019 Base-Backbone interact. energy: -0.006 local terms energy: -65.449590 where: bonds (distance) C4'-P energy: -12.731 bonds (distance) P-C4' energy: -14.557 flat angles C4'-P-C4' energy: -15.590 flat angles P-C4'-P energy: -9.900 tors. eta vs tors. theta energy: -12.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 393 Temperature: 1.150000 Total energy: -176.614145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.614145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.614145 (E_RNA) where: Base-Base interactions energy: -112.392 where: short stacking energy: -44.417 Base-Backbone interact. energy: -0.098 local terms energy: -64.124400 where: bonds (distance) C4'-P energy: -13.378 bonds (distance) P-C4' energy: -16.146 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -9.231 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: 7, replica: 1 ===================================== Write number: 393 Temperature: 1.200000 Total energy: -166.619629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.619629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.619629 (E_RNA) where: Base-Base interactions energy: -112.677 where: short stacking energy: -53.703 Base-Backbone interact. energy: -0.021 local terms energy: -53.921624 where: bonds (distance) C4'-P energy: -7.419 bonds (distance) P-C4' energy: -13.631 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -8.142 tors. eta vs tors. theta energy: -10.650 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: 4 ===================================== Write number: 393 Temperature: 1.250000 Total energy: -167.419517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.419517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.419517 (E_RNA) where: Base-Base interactions energy: -113.484 where: short stacking energy: -54.033 Base-Backbone interact. energy: -0.766 local terms energy: -53.169329 where: bonds (distance) C4'-P energy: -12.673 bonds (distance) P-C4' energy: -12.135 flat angles C4'-P-C4' energy: -9.842 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -10.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 393 Temperature: 1.300000 Total energy: -88.024980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.024980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.024980 (E_RNA) where: Base-Base interactions energy: -37.643 where: short stacking energy: -37.880 Base-Backbone interact. energy: -0.365 local terms energy: -50.017801 where: bonds (distance) C4'-P energy: -9.422 bonds (distance) P-C4' energy: -9.811 flat angles C4'-P-C4' energy: -15.080 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: -6.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 393 Temperature: 1.350000 Total energy: -70.721078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.721078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.721078 (E_RNA) where: Base-Base interactions energy: -29.884 where: short stacking energy: -23.863 Base-Backbone interact. energy: 0.321 local terms energy: -41.158920 where: bonds (distance) C4'-P energy: -9.646 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -12.794 flat angles P-C4'-P energy: -6.579 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: 1, replica: 9 ===================================== Write number: 394 Temperature: 0.900000 Total energy: -202.043085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.043085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.043085 (E_RNA) where: Base-Base interactions energy: -136.016 where: short stacking energy: -61.315 Base-Backbone interact. energy: -0.293 local terms energy: -65.733907 where: bonds (distance) C4'-P energy: -13.183 bonds (distance) P-C4' energy: -15.985 flat angles C4'-P-C4' energy: -10.026 flat angles P-C4'-P energy: -9.311 tors. eta vs tors. theta energy: -17.229 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 394 Temperature: 0.950000 Total energy: -210.809767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.809767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.809767 (E_RNA) where: Base-Base interactions energy: -134.248 where: short stacking energy: -60.778 Base-Backbone interact. energy: -0.007 local terms energy: -76.554621 where: bonds (distance) C4'-P energy: -13.939 bonds (distance) P-C4' energy: -16.209 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -11.968 tors. eta vs tors. theta energy: -21.374 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: 3, replica: 10 ===================================== Write number: 394 Temperature: 1.000000 Total energy: -200.979644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.979644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.979644 (E_RNA) where: Base-Base interactions energy: -130.285 where: short stacking energy: -61.752 Base-Backbone interact. energy: -0.469 local terms energy: -70.225720 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -12.801 flat angles C4'-P-C4' energy: -16.596 flat angles P-C4'-P energy: -11.122 tors. eta vs tors. theta energy: -16.631 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 394 Temperature: 1.050000 Total energy: -192.483068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.483068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.483068 (E_RNA) where: Base-Base interactions energy: -119.087 where: short stacking energy: -57.012 Base-Backbone interact. energy: -0.000 local terms energy: -73.396054 where: bonds (distance) C4'-P energy: -13.653 bonds (distance) P-C4' energy: -15.501 flat angles C4'-P-C4' energy: -15.145 flat angles P-C4'-P energy: -12.029 tors. eta vs tors. theta energy: -17.067 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 394 Temperature: 1.100000 Total energy: -189.056697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.056697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.056697 (E_RNA) where: Base-Base interactions energy: -127.119 where: short stacking energy: -60.644 Base-Backbone interact. energy: -0.002 local terms energy: -61.935991 where: bonds (distance) C4'-P energy: -9.125 bonds (distance) P-C4' energy: -11.515 flat angles C4'-P-C4' energy: -14.469 flat angles P-C4'-P energy: -8.608 tors. eta vs tors. theta energy: -18.218 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 394 Temperature: 1.150000 Total energy: -187.391017 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.391017 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.391017 (E_RNA) where: Base-Base interactions energy: -126.615 where: short stacking energy: -62.925 Base-Backbone interact. energy: -0.005 local terms energy: -60.771046 where: bonds (distance) C4'-P energy: -10.281 bonds (distance) P-C4' energy: -11.679 flat angles C4'-P-C4' energy: -14.154 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -15.387 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: 1 ===================================== Write number: 394 Temperature: 1.200000 Total energy: -185.303541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.303541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.303541 (E_RNA) where: Base-Base interactions energy: -123.696 where: short stacking energy: -53.791 Base-Backbone interact. energy: -0.006 local terms energy: -61.600733 where: bonds (distance) C4'-P energy: -11.817 bonds (distance) P-C4' energy: -10.118 flat angles C4'-P-C4' energy: -14.391 flat angles P-C4'-P energy: -7.884 tors. eta vs tors. theta energy: -17.391 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: 4 ===================================== Write number: 394 Temperature: 1.250000 Total energy: -181.762676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.762676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.762676 (E_RNA) where: Base-Base interactions energy: -119.904 where: short stacking energy: -51.093 Base-Backbone interact. energy: -0.194 local terms energy: -61.665318 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -16.632 flat angles C4'-P-C4' energy: -12.844 flat angles P-C4'-P energy: -7.078 tors. eta vs tors. theta energy: -10.738 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 394 Temperature: 1.300000 Total energy: -75.695260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.695260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.695260 (E_RNA) where: Base-Base interactions energy: -26.396 where: short stacking energy: -26.396 Base-Backbone interact. energy: -0.207 local terms energy: -49.092719 where: bonds (distance) C4'-P energy: -14.672 bonds (distance) P-C4' energy: -15.043 flat angles C4'-P-C4' energy: -9.810 flat angles P-C4'-P energy: -6.939 tors. eta vs tors. theta energy: -2.628 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 394 Temperature: 1.350000 Total energy: -65.903279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.903279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.903279 (E_RNA) where: Base-Base interactions energy: -24.213 where: short stacking energy: -19.779 Base-Backbone interact. energy: 0.068 local terms energy: -41.758065 where: bonds (distance) C4'-P energy: -14.072 bonds (distance) P-C4' energy: -7.999 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -7.232 tors. eta vs tors. theta energy: -0.485 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 395 Temperature: 0.900000 Total energy: -209.642109 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.642109 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.642109 (E_RNA) where: Base-Base interactions energy: -141.860 where: short stacking energy: -68.076 Base-Backbone interact. energy: -0.039 local terms energy: -67.742949 where: bonds (distance) C4'-P energy: -9.025 bonds (distance) P-C4' energy: -13.595 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -10.151 tors. eta vs tors. theta energy: -20.018 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: 6 ===================================== Write number: 395 Temperature: 0.950000 Total energy: -203.506111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.506111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.506111 (E_RNA) where: Base-Base interactions energy: -135.412 where: short stacking energy: -60.823 Base-Backbone interact. energy: -0.902 local terms energy: -67.192139 where: bonds (distance) C4'-P energy: -13.699 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -13.701 flat angles P-C4'-P energy: -8.887 tors. eta vs tors. theta energy: -15.415 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: 10 ===================================== Write number: 395 Temperature: 1.000000 Total energy: -199.853248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.853248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.853248 (E_RNA) where: Base-Base interactions energy: -138.474 where: short stacking energy: -68.253 Base-Backbone interact. energy: -0.071 local terms energy: -61.308876 where: bonds (distance) C4'-P energy: -10.946 bonds (distance) P-C4' energy: -12.055 flat angles C4'-P-C4' energy: -13.800 flat angles P-C4'-P energy: -5.940 tors. eta vs tors. theta energy: -18.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 395 Temperature: 1.050000 Total energy: -198.493805 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.493805 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.493805 (E_RNA) where: Base-Base interactions energy: -131.376 where: short stacking energy: -57.297 Base-Backbone interact. energy: -0.058 local terms energy: -67.059284 where: bonds (distance) C4'-P energy: -14.896 bonds (distance) P-C4' energy: -13.828 flat angles C4'-P-C4' energy: -10.245 flat angles P-C4'-P energy: -11.550 tors. eta vs tors. theta energy: -16.541 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: 5 ===================================== Write number: 395 Temperature: 1.100000 Total energy: -184.315648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.315648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.315648 (E_RNA) where: Base-Base interactions energy: -121.650 where: short stacking energy: -54.327 Base-Backbone interact. energy: -0.003 local terms energy: -62.662801 where: bonds (distance) C4'-P energy: -13.132 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -15.686 flat angles P-C4'-P energy: -3.782 tors. eta vs tors. theta energy: -15.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 395 Temperature: 1.150000 Total energy: -179.754300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.754300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.754300 (E_RNA) where: Base-Base interactions energy: -108.753 where: short stacking energy: -48.786 Base-Backbone interact. energy: 0.137 local terms energy: -71.138725 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -15.892 flat angles C4'-P-C4' energy: -16.100 flat angles P-C4'-P energy: -8.227 tors. eta vs tors. theta energy: -16.530 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: 1 ===================================== Write number: 395 Temperature: 1.200000 Total energy: -172.100759 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.100759 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.100759 (E_RNA) where: Base-Base interactions energy: -116.427 where: short stacking energy: -52.230 Base-Backbone interact. energy: 1.868 local terms energy: -57.541420 where: bonds (distance) C4'-P energy: -13.989 bonds (distance) P-C4' energy: -7.138 flat angles C4'-P-C4' energy: -16.229 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -13.427 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: 4 ===================================== Write number: 395 Temperature: 1.250000 Total energy: -175.139067 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.139067 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.139067 (E_RNA) where: Base-Base interactions energy: -110.889 where: short stacking energy: -51.161 Base-Backbone interact. energy: -0.002 local terms energy: -64.247302 where: bonds (distance) C4'-P energy: -12.905 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -10.022 flat angles P-C4'-P energy: -8.780 tors. eta vs tors. theta energy: -18.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 395 Temperature: 1.300000 Total energy: -72.081058 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.081058 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.081058 (E_RNA) where: Base-Base interactions energy: -34.812 where: short stacking energy: -30.861 Base-Backbone interact. energy: 2.127 local terms energy: -39.396729 where: bonds (distance) C4'-P energy: -8.674 bonds (distance) P-C4' energy: -14.709 flat angles C4'-P-C4' energy: -10.357 flat angles P-C4'-P energy: -2.509 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: 3 ===================================== Write number: 395 Temperature: 1.350000 Total energy: -68.530287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.530287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.530287 (E_RNA) where: Base-Base interactions energy: -25.974 where: short stacking energy: -20.175 Base-Backbone interact. energy: -0.170 local terms energy: -42.386212 where: bonds (distance) C4'-P energy: -16.017 bonds (distance) P-C4' energy: -9.812 flat angles C4'-P-C4' energy: -11.917 flat angles P-C4'-P energy: -6.213 tors. eta vs tors. theta energy: 1.573 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 396 Temperature: 0.900000 Total energy: -210.011098 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.011098 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.011098 (E_RNA) where: Base-Base interactions energy: -135.614 where: short stacking energy: -58.863 Base-Backbone interact. energy: -0.120 local terms energy: -74.277272 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -15.604 flat angles C4'-P-C4' energy: -14.615 flat angles P-C4'-P energy: -12.782 tors. eta vs tors. theta energy: -18.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 396 Temperature: 0.950000 Total energy: -207.448960 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.448960 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.448960 (E_RNA) where: Base-Base interactions energy: -134.630 where: short stacking energy: -62.139 Base-Backbone interact. energy: -0.021 local terms energy: -72.797377 where: bonds (distance) C4'-P energy: -12.214 bonds (distance) P-C4' energy: -16.635 flat angles C4'-P-C4' energy: -14.080 flat angles P-C4'-P energy: -9.167 tors. eta vs tors. theta energy: -20.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 396 Temperature: 1.000000 Total energy: -197.906204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.906204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.906204 (E_RNA) where: Base-Base interactions energy: -134.499 where: short stacking energy: -57.016 Base-Backbone interact. energy: -0.010 local terms energy: -63.397392 where: bonds (distance) C4'-P energy: -11.878 bonds (distance) P-C4' energy: -15.170 flat angles C4'-P-C4' energy: -10.964 flat angles P-C4'-P energy: -8.672 tors. eta vs tors. theta energy: -16.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 10 ===================================== Write number: 396 Temperature: 1.050000 Total energy: -196.376005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.376005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.376005 (E_RNA) where: Base-Base interactions energy: -135.778 where: short stacking energy: -59.733 Base-Backbone interact. energy: -0.429 local terms energy: -60.169114 where: bonds (distance) C4'-P energy: -11.299 bonds (distance) P-C4' energy: -13.855 flat angles C4'-P-C4' energy: -13.948 flat angles P-C4'-P energy: -5.349 tors. eta vs tors. theta energy: -15.718 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 396 Temperature: 1.100000 Total energy: -197.726247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.726247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.726247 (E_RNA) where: Base-Base interactions energy: -131.680 where: short stacking energy: -68.074 Base-Backbone interact. energy: -0.059 local terms energy: -65.986915 where: bonds (distance) C4'-P energy: -15.191 bonds (distance) P-C4' energy: -9.310 flat angles C4'-P-C4' energy: -14.217 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: -17.243 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 396 Temperature: 1.150000 Total energy: -191.662582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.662582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.662582 (E_RNA) where: Base-Base interactions energy: -131.392 where: short stacking energy: -58.570 Base-Backbone interact. energy: -0.107 local terms energy: -60.162962 where: bonds (distance) C4'-P energy: -7.336 bonds (distance) P-C4' energy: -13.757 flat angles C4'-P-C4' energy: -13.147 flat angles P-C4'-P energy: -11.435 tors. eta vs tors. theta energy: -14.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 396 Temperature: 1.200000 Total energy: -167.802445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.802445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.802445 (E_RNA) where: Base-Base interactions energy: -113.226 where: short stacking energy: -46.868 Base-Backbone interact. energy: -0.025 local terms energy: -54.552176 where: bonds (distance) C4'-P energy: -13.129 bonds (distance) P-C4' energy: -11.309 flat angles C4'-P-C4' energy: -8.834 flat angles P-C4'-P energy: -6.435 tors. eta vs tors. theta energy: -14.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 396 Temperature: 1.250000 Total energy: -172.816877 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.816877 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.816877 (E_RNA) where: Base-Base interactions energy: -114.617 where: short stacking energy: -51.596 Base-Backbone interact. energy: -0.003 local terms energy: -58.196519 where: bonds (distance) C4'-P energy: -13.007 bonds (distance) P-C4' energy: -12.451 flat angles C4'-P-C4' energy: -11.368 flat angles P-C4'-P energy: -9.898 tors. eta vs tors. theta energy: -11.472 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: 9, replica: 3 ===================================== Write number: 396 Temperature: 1.300000 Total energy: -80.762181 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.762181 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.762181 (E_RNA) where: Base-Base interactions energy: -29.152 where: short stacking energy: -28.693 Base-Backbone interact. energy: -0.099 local terms energy: -51.510879 where: bonds (distance) C4'-P energy: -11.985 bonds (distance) P-C4' energy: -12.943 flat angles C4'-P-C4' energy: -13.150 flat angles P-C4'-P energy: -7.422 tors. eta vs tors. theta energy: -6.012 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 396 Temperature: 1.350000 Total energy: -74.997731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.997731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.997731 (E_RNA) where: Base-Base interactions energy: -27.361 where: short stacking energy: -21.665 Base-Backbone interact. energy: -0.111 local terms energy: -47.525078 where: bonds (distance) C4'-P energy: -8.823 bonds (distance) P-C4' energy: -14.751 flat angles C4'-P-C4' energy: -9.395 flat angles P-C4'-P energy: -10.765 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: 1, replica: 6 ===================================== Write number: 397 Temperature: 0.900000 Total energy: -212.758096 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.758096 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.758096 (E_RNA) where: Base-Base interactions energy: -139.964 where: short stacking energy: -66.472 Base-Backbone interact. energy: -0.010 local terms energy: -72.784005 where: bonds (distance) C4'-P energy: -11.593 bonds (distance) P-C4' energy: -13.524 flat angles C4'-P-C4' energy: -15.431 flat angles P-C4'-P energy: -12.408 tors. eta vs tors. theta energy: -19.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 397 Temperature: 0.950000 Total energy: -206.066846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.066846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.066846 (E_RNA) where: Base-Base interactions energy: -138.075 where: short stacking energy: -61.618 Base-Backbone interact. energy: -0.034 local terms energy: -67.957995 where: bonds (distance) C4'-P energy: -12.408 bonds (distance) P-C4' energy: -16.107 flat angles C4'-P-C4' energy: -13.741 flat angles P-C4'-P energy: -7.294 tors. eta vs tors. theta energy: -18.408 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 397 Temperature: 1.000000 Total energy: -205.342479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.342479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.342479 (E_RNA) where: Base-Base interactions energy: -134.267 where: short stacking energy: -60.288 Base-Backbone interact. energy: -0.018 local terms energy: -71.057494 where: bonds (distance) C4'-P energy: -13.177 bonds (distance) P-C4' energy: -15.047 flat angles C4'-P-C4' energy: -15.004 flat angles P-C4'-P energy: -10.709 tors. eta vs tors. theta energy: -17.120 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: 4, replica: 5 ===================================== Write number: 397 Temperature: 1.050000 Total energy: -182.320304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.320304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.320304 (E_RNA) where: Base-Base interactions energy: -124.209 where: short stacking energy: -51.171 Base-Backbone interact. energy: -0.988 local terms energy: -57.123466 where: bonds (distance) C4'-P energy: -13.100 bonds (distance) P-C4' energy: -9.855 flat angles C4'-P-C4' energy: -12.109 flat angles P-C4'-P energy: -11.759 tors. eta vs tors. theta energy: -10.300 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: 5, replica: 10 ===================================== Write number: 397 Temperature: 1.100000 Total energy: -184.215951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.215951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.215951 (E_RNA) where: Base-Base interactions energy: -118.683 where: short stacking energy: -51.671 Base-Backbone interact. energy: -0.001 local terms energy: -65.531752 where: bonds (distance) C4'-P energy: -12.264 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -13.091 flat angles P-C4'-P energy: -10.216 tors. eta vs tors. theta energy: -14.603 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: 1 ===================================== Write number: 397 Temperature: 1.150000 Total energy: -175.965536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.965536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.965536 (E_RNA) where: Base-Base interactions energy: -115.504 where: short stacking energy: -49.909 Base-Backbone interact. energy: -0.007 local terms energy: -60.454661 where: bonds (distance) C4'-P energy: -8.003 bonds (distance) P-C4' energy: -13.930 flat angles C4'-P-C4' energy: -13.233 flat angles P-C4'-P energy: -11.362 tors. eta vs tors. theta energy: -13.926 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 397 Temperature: 1.200000 Total energy: -169.609892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.609892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.609892 (E_RNA) where: Base-Base interactions energy: -112.369 where: short stacking energy: -51.287 Base-Backbone interact. energy: -0.037 local terms energy: -57.204505 where: bonds (distance) C4'-P energy: -14.838 bonds (distance) P-C4' energy: -10.964 flat angles C4'-P-C4' energy: -11.731 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -10.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 397 Temperature: 1.250000 Total energy: -168.862519 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.862519 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.862519 (E_RNA) where: Base-Base interactions energy: -110.483 where: short stacking energy: -51.286 Base-Backbone interact. energy: 0.344 local terms energy: -58.724182 where: bonds (distance) C4'-P energy: -8.284 bonds (distance) P-C4' energy: -15.417 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -8.076 tors. eta vs tors. theta energy: -14.430 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 397 Temperature: 1.300000 Total energy: -75.455597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.455597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.455597 (E_RNA) where: Base-Base interactions energy: -29.249 where: short stacking energy: -29.075 Base-Backbone interact. energy: -0.386 local terms energy: -45.820156 where: bonds (distance) C4'-P energy: -14.167 bonds (distance) P-C4' energy: -15.225 flat angles C4'-P-C4' energy: -8.683 flat angles P-C4'-P energy: -3.873 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: 10, replica: 8 ===================================== Write number: 397 Temperature: 1.350000 Total energy: -83.647700 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.647700 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.647700 (E_RNA) where: Base-Base interactions energy: -34.491 where: short stacking energy: -33.465 Base-Backbone interact. energy: -0.122 local terms energy: -49.034781 where: bonds (distance) C4'-P energy: -9.986 bonds (distance) P-C4' energy: -11.071 flat angles C4'-P-C4' energy: -12.409 flat angles P-C4'-P energy: -7.823 tors. eta vs tors. theta energy: -7.747 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 398 Temperature: 0.900000 Total energy: -211.574873 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.574873 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.574873 (E_RNA) where: Base-Base interactions energy: -138.943 where: short stacking energy: -67.150 Base-Backbone interact. energy: -0.001 local terms energy: -72.630583 where: bonds (distance) C4'-P energy: -12.908 bonds (distance) P-C4' energy: -15.440 flat angles C4'-P-C4' energy: -14.203 flat angles P-C4'-P energy: -11.688 tors. eta vs tors. theta energy: -18.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 398 Temperature: 0.950000 Total energy: -207.392041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.392041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.392041 (E_RNA) where: Base-Base interactions energy: -135.750 where: short stacking energy: -57.110 Base-Backbone interact. energy: -0.063 local terms energy: -71.578879 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -12.955 flat angles P-C4'-P energy: -9.925 tors. eta vs tors. theta energy: -21.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 398 Temperature: 1.000000 Total energy: -197.059233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.059233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.059233 (E_RNA) where: Base-Base interactions energy: -130.522 where: short stacking energy: -55.219 Base-Backbone interact. energy: -0.050 local terms energy: -66.487619 where: bonds (distance) C4'-P energy: -9.571 bonds (distance) P-C4' energy: -14.252 flat angles C4'-P-C4' energy: -15.837 flat angles P-C4'-P energy: -10.179 tors. eta vs tors. theta energy: -16.648 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 398 Temperature: 1.050000 Total energy: -200.803539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.803539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.803539 (E_RNA) where: Base-Base interactions energy: -141.493 where: short stacking energy: -71.600 Base-Backbone interact. energy: -0.413 local terms energy: -58.897561 where: bonds (distance) C4'-P energy: -9.958 bonds (distance) P-C4' energy: -12.843 flat angles C4'-P-C4' energy: -12.625 flat angles P-C4'-P energy: -5.914 tors. eta vs tors. theta energy: -17.557 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: 1 ===================================== Write number: 398 Temperature: 1.100000 Total energy: -189.628729 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.628729 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.628729 (E_RNA) where: Base-Base interactions energy: -127.142 where: short stacking energy: -60.762 Base-Backbone interact. energy: -0.002 local terms energy: -62.485298 where: bonds (distance) C4'-P energy: -9.721 bonds (distance) P-C4' energy: -14.314 flat angles C4'-P-C4' energy: -13.043 flat angles P-C4'-P energy: -10.267 tors. eta vs tors. theta energy: -15.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 10 ===================================== Write number: 398 Temperature: 1.150000 Total energy: -190.398678 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.398678 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.398678 (E_RNA) where: Base-Base interactions energy: -121.804 where: short stacking energy: -57.317 Base-Backbone interact. energy: -0.237 local terms energy: -68.358043 where: bonds (distance) C4'-P energy: -12.365 bonds (distance) P-C4' energy: -15.491 flat angles C4'-P-C4' energy: -13.850 flat angles P-C4'-P energy: -9.575 tors. eta vs tors. theta energy: -17.076 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 398 Temperature: 1.200000 Total energy: -170.948934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.948934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.948934 (E_RNA) where: Base-Base interactions energy: -110.883 where: short stacking energy: -47.550 Base-Backbone interact. energy: -0.203 local terms energy: -59.862988 where: bonds (distance) C4'-P energy: -12.502 bonds (distance) P-C4' energy: -12.005 flat angles C4'-P-C4' energy: -10.813 flat angles P-C4'-P energy: -11.847 tors. eta vs tors. theta energy: -12.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 398 Temperature: 1.250000 Total energy: -166.277896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.277896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.277896 (E_RNA) where: Base-Base interactions energy: -110.438 where: short stacking energy: -50.305 Base-Backbone interact. energy: -0.004 local terms energy: -55.835840 where: bonds (distance) C4'-P energy: -8.777 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -14.615 flat angles P-C4'-P energy: -8.894 tors. eta vs tors. theta energy: -12.327 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: 3 ===================================== Write number: 398 Temperature: 1.300000 Total energy: -75.736580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.736580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.736580 (E_RNA) where: Base-Base interactions energy: -26.798 where: short stacking energy: -26.020 Base-Backbone interact. energy: -0.015 local terms energy: -48.924404 where: bonds (distance) C4'-P energy: -14.150 bonds (distance) P-C4' energy: -13.419 flat angles C4'-P-C4' energy: -8.080 flat angles P-C4'-P energy: -4.816 tors. eta vs tors. theta energy: -8.459 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: 8 ===================================== Write number: 398 Temperature: 1.350000 Total energy: -85.727335 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -85.727335 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -85.727335 (E_RNA) where: Base-Base interactions energy: -31.440 where: short stacking energy: -31.440 Base-Backbone interact. energy: -0.003 local terms energy: -54.284301 where: bonds (distance) C4'-P energy: -12.950 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -11.568 flat angles P-C4'-P energy: -11.314 tors. eta vs tors. theta energy: -3.982 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 399 Temperature: 0.900000 Total energy: -211.282875 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.282875 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.282875 (E_RNA) where: Base-Base interactions energy: -139.214 where: short stacking energy: -60.179 Base-Backbone interact. energy: -0.084 local terms energy: -71.984585 where: bonds (distance) C4'-P energy: -14.271 bonds (distance) P-C4' energy: -14.082 flat angles C4'-P-C4' energy: -15.732 flat angles P-C4'-P energy: -10.026 tors. eta vs tors. theta energy: -17.873 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: 5 ===================================== Write number: 399 Temperature: 0.950000 Total energy: -204.439494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.439494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.439494 (E_RNA) where: Base-Base interactions energy: -136.364 where: short stacking energy: -64.815 Base-Backbone interact. energy: -0.014 local terms energy: -68.061733 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -12.258 flat angles C4'-P-C4' energy: -16.471 flat angles P-C4'-P energy: -6.979 tors. eta vs tors. theta energy: -19.407 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: 6 ===================================== Write number: 399 Temperature: 1.000000 Total energy: -199.834263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.834263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.834263 (E_RNA) where: Base-Base interactions energy: -128.668 where: short stacking energy: -58.901 Base-Backbone interact. energy: -0.005 local terms energy: -71.160580 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -12.482 flat angles C4'-P-C4' energy: -15.397 flat angles P-C4'-P energy: -11.123 tors. eta vs tors. theta energy: -18.372 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: 1 ===================================== Write number: 399 Temperature: 1.050000 Total energy: -198.729032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.729032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.729032 (E_RNA) where: Base-Base interactions energy: -131.183 where: short stacking energy: -66.975 Base-Backbone interact. energy: -0.034 local terms energy: -67.511899 where: bonds (distance) C4'-P energy: -13.429 bonds (distance) P-C4' energy: -10.464 flat angles C4'-P-C4' energy: -16.696 flat angles P-C4'-P energy: -7.511 tors. eta vs tors. theta energy: -19.412 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 399 Temperature: 1.100000 Total energy: -183.084014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.084014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.084014 (E_RNA) where: Base-Base interactions energy: -124.133 where: short stacking energy: -52.728 Base-Backbone interact. energy: -0.084 local terms energy: -58.867096 where: bonds (distance) C4'-P energy: -11.223 bonds (distance) P-C4' energy: -11.945 flat angles C4'-P-C4' energy: -14.739 flat angles P-C4'-P energy: -8.480 tors. eta vs tors. theta energy: -12.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 399 Temperature: 1.150000 Total energy: -184.062348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.062348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.062348 (E_RNA) where: Base-Base interactions energy: -128.071 where: short stacking energy: -57.507 Base-Backbone interact. energy: 1.316 local terms energy: -57.306526 where: bonds (distance) C4'-P energy: -7.617 bonds (distance) P-C4' energy: -11.967 flat angles C4'-P-C4' energy: -13.002 flat angles P-C4'-P energy: -8.806 tors. eta vs tors. theta energy: -15.914 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 10 ===================================== Write number: 399 Temperature: 1.200000 Total energy: -183.268345 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.268345 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.268345 (E_RNA) where: Base-Base interactions energy: -121.915 where: short stacking energy: -58.209 Base-Backbone interact. energy: -0.128 local terms energy: -61.225539 where: bonds (distance) C4'-P energy: -11.771 bonds (distance) P-C4' energy: -12.878 flat angles C4'-P-C4' energy: -13.587 flat angles P-C4'-P energy: -8.211 tors. eta vs tors. theta energy: -14.778 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: 2 ===================================== Write number: 399 Temperature: 1.250000 Total energy: -177.852565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.852565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.852565 (E_RNA) where: Base-Base interactions energy: -116.032 where: short stacking energy: -52.044 Base-Backbone interact. energy: -0.735 local terms energy: -61.086308 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -12.637 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -7.364 tors. eta vs tors. theta energy: -15.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 399 Temperature: 1.300000 Total energy: -80.442475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.442475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.442475 (E_RNA) where: Base-Base interactions energy: -29.224 where: short stacking energy: -29.224 Base-Backbone interact. energy: -0.008 local terms energy: -51.210564 where: bonds (distance) C4'-P energy: -10.859 bonds (distance) P-C4' energy: -12.627 flat angles C4'-P-C4' energy: -9.707 flat angles P-C4'-P energy: -8.676 tors. eta vs tors. theta energy: -9.341 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: 10, replica: 8 ===================================== Write number: 399 Temperature: 1.350000 Total energy: -67.116885 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.116885 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.116885 (E_RNA) where: Base-Base interactions energy: -27.140 where: short stacking energy: -24.915 Base-Backbone interact. energy: 0.786 local terms energy: -40.763402 where: bonds (distance) C4'-P energy: -11.497 bonds (distance) P-C4' energy: -13.128 flat angles C4'-P-C4' energy: -7.275 flat angles P-C4'-P energy: -9.438 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: 1, replica: 5 ===================================== Write number: 400 Temperature: 0.900000 Total energy: -211.817194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.817194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.817194 (E_RNA) where: Base-Base interactions energy: -144.704 where: short stacking energy: -70.276 Base-Backbone interact. energy: -0.281 local terms energy: -66.832708 where: bonds (distance) C4'-P energy: -10.367 bonds (distance) P-C4' energy: -14.480 flat angles C4'-P-C4' energy: -14.242 flat angles P-C4'-P energy: -8.983 tors. eta vs tors. theta energy: -18.760 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 400 Temperature: 0.950000 Total energy: -203.617963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.617963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.617963 (E_RNA) where: Base-Base interactions energy: -140.179 where: short stacking energy: -58.442 Base-Backbone interact. energy: -0.206 local terms energy: -63.232774 where: bonds (distance) C4'-P energy: -11.306 bonds (distance) P-C4' energy: -12.527 flat angles C4'-P-C4' energy: -14.603 flat angles P-C4'-P energy: -9.302 tors. eta vs tors. theta energy: -15.494 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: 6 ===================================== Write number: 400 Temperature: 1.000000 Total energy: -199.639341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.639341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.639341 (E_RNA) where: Base-Base interactions energy: -131.988 where: short stacking energy: -61.199 Base-Backbone interact. energy: -0.000 local terms energy: -67.650781 where: bonds (distance) C4'-P energy: -16.105 bonds (distance) P-C4' energy: -15.540 flat angles C4'-P-C4' energy: -9.316 flat angles P-C4'-P energy: -9.669 tors. eta vs tors. theta energy: -17.020 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 400 Temperature: 1.050000 Total energy: -187.355450 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.355450 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.355450 (E_RNA) where: Base-Base interactions energy: -125.787 where: short stacking energy: -51.729 Base-Backbone interact. energy: -0.052 local terms energy: -61.517095 where: bonds (distance) C4'-P energy: -9.506 bonds (distance) P-C4' energy: -11.040 flat angles C4'-P-C4' energy: -16.781 flat angles P-C4'-P energy: -8.689 tors. eta vs tors. theta energy: -15.500 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: 5, replica: 4 ===================================== Write number: 400 Temperature: 1.100000 Total energy: -188.620374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.620374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.620374 (E_RNA) where: Base-Base interactions energy: -127.696 where: short stacking energy: -56.084 Base-Backbone interact. energy: -0.219 local terms energy: -60.704915 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -10.060 flat angles C4'-P-C4' energy: -13.293 flat angles P-C4'-P energy: -8.480 tors. eta vs tors. theta energy: -14.916 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: 7 ===================================== Write number: 400 Temperature: 1.150000 Total energy: -182.289576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.289576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.289576 (E_RNA) where: Base-Base interactions energy: -118.240 where: short stacking energy: -49.463 Base-Backbone interact. energy: -0.016 local terms energy: -64.033445 where: bonds (distance) C4'-P energy: -14.366 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -11.894 flat angles P-C4'-P energy: -9.956 tors. eta vs tors. theta energy: -11.643 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: 2 ===================================== Write number: 400 Temperature: 1.200000 Total energy: -175.669104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.669104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.669104 (E_RNA) where: Base-Base interactions energy: -114.108 where: short stacking energy: -52.738 Base-Backbone interact. energy: -0.389 local terms energy: -61.172678 where: bonds (distance) C4'-P energy: -9.364 bonds (distance) P-C4' energy: -15.604 flat angles C4'-P-C4' energy: -10.018 flat angles P-C4'-P energy: -10.087 tors. eta vs tors. theta energy: -16.099 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 400 Temperature: 1.250000 Total energy: -178.748536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.748536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.748536 (E_RNA) where: Base-Base interactions energy: -120.676 where: short stacking energy: -59.186 Base-Backbone interact. energy: -0.000 local terms energy: -58.071890 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -12.534 flat angles C4'-P-C4' energy: -10.285 flat angles P-C4'-P energy: -7.577 tors. eta vs tors. theta energy: -16.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 400 Temperature: 1.300000 Total energy: -74.852494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.852494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.852494 (E_RNA) where: Base-Base interactions energy: -36.613 where: short stacking energy: -17.786 Base-Backbone interact. energy: 0.412 local terms energy: -38.651400 where: bonds (distance) C4'-P energy: -11.836 bonds (distance) P-C4' energy: -9.623 flat angles C4'-P-C4' energy: -7.749 flat angles P-C4'-P energy: -7.952 tors. eta vs tors. theta energy: -1.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 400 Temperature: 1.350000 Total energy: -74.054454 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.054454 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.054454 (E_RNA) where: Base-Base interactions energy: -24.379 where: short stacking energy: -17.819 Base-Backbone interact. energy: -0.981 local terms energy: -48.694384 where: bonds (distance) C4'-P energy: -13.674 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -14.517 flat angles P-C4'-P energy: -7.077 tors. eta vs tors. theta energy: 2.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 401 Temperature: 0.900000 Total energy: -208.999891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.999891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.999891 (E_RNA) where: Base-Base interactions energy: -138.606 where: short stacking energy: -68.501 Base-Backbone interact. energy: -0.019 local terms energy: -70.375133 where: bonds (distance) C4'-P energy: -13.936 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -15.422 flat angles P-C4'-P energy: -8.969 tors. eta vs tors. theta energy: -18.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 401 Temperature: 0.950000 Total energy: -210.064342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.064342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.064342 (E_RNA) where: Base-Base interactions energy: -142.613 where: short stacking energy: -62.355 Base-Backbone interact. energy: -0.019 local terms energy: -67.432061 where: bonds (distance) C4'-P energy: -10.689 bonds (distance) P-C4' energy: -14.042 flat angles C4'-P-C4' energy: -15.561 flat angles P-C4'-P energy: -8.391 tors. eta vs tors. theta energy: -18.749 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 401 Temperature: 1.000000 Total energy: -208.351874 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.351874 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.351874 (E_RNA) where: Base-Base interactions energy: -140.117 where: short stacking energy: -65.146 Base-Backbone interact. energy: -0.049 local terms energy: -68.186668 where: bonds (distance) C4'-P energy: -12.533 bonds (distance) P-C4' energy: -14.880 flat angles C4'-P-C4' energy: -14.380 flat angles P-C4'-P energy: -7.278 tors. eta vs tors. theta energy: -19.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 401 Temperature: 1.050000 Total energy: -204.654504 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.654504 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.654504 (E_RNA) where: Base-Base interactions energy: -137.326 where: short stacking energy: -65.890 Base-Backbone interact. energy: -0.003 local terms energy: -67.325791 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -13.987 flat angles C4'-P-C4' energy: -10.747 flat angles P-C4'-P energy: -11.335 tors. eta vs tors. theta energy: -17.160 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: 4 ===================================== Write number: 401 Temperature: 1.100000 Total energy: -186.742087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.742087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.742087 (E_RNA) where: Base-Base interactions energy: -123.065 where: short stacking energy: -58.416 Base-Backbone interact. energy: -0.008 local terms energy: -63.668700 where: bonds (distance) C4'-P energy: -8.631 bonds (distance) P-C4' energy: -12.804 flat angles C4'-P-C4' energy: -11.792 flat angles P-C4'-P energy: -10.774 tors. eta vs tors. theta energy: -19.668 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 401 Temperature: 1.150000 Total energy: -172.957245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.957245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.957245 (E_RNA) where: Base-Base interactions energy: -113.374 where: short stacking energy: -47.509 Base-Backbone interact. energy: -0.151 local terms energy: -59.432065 where: bonds (distance) C4'-P energy: -13.622 bonds (distance) P-C4' energy: -15.223 flat angles C4'-P-C4' energy: -14.062 flat angles P-C4'-P energy: -6.608 tors. eta vs tors. theta energy: -9.916 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: 7 ===================================== Write number: 401 Temperature: 1.200000 Total energy: -180.073746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.073746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.073746 (E_RNA) where: Base-Base interactions energy: -116.081 where: short stacking energy: -54.069 Base-Backbone interact. energy: -0.052 local terms energy: -63.940519 where: bonds (distance) C4'-P energy: -15.173 bonds (distance) P-C4' energy: -11.199 flat angles C4'-P-C4' energy: -14.051 flat angles P-C4'-P energy: -10.547 tors. eta vs tors. theta energy: -12.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 401 Temperature: 1.250000 Total energy: -169.131887 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.131887 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.131887 (E_RNA) where: Base-Base interactions energy: -105.900 where: short stacking energy: -52.033 Base-Backbone interact. energy: -0.015 local terms energy: -63.216801 where: bonds (distance) C4'-P energy: -14.122 bonds (distance) P-C4' energy: -14.485 flat angles C4'-P-C4' energy: -14.626 flat angles P-C4'-P energy: -8.694 tors. eta vs tors. theta energy: -11.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 401 Temperature: 1.300000 Total energy: -79.022135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.022135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.022135 (E_RNA) where: Base-Base interactions energy: -30.210 where: short stacking energy: -30.210 Base-Backbone interact. energy: 0.241 local terms energy: -49.052924 where: bonds (distance) C4'-P energy: -11.795 bonds (distance) P-C4' energy: -13.750 flat angles C4'-P-C4' energy: -7.076 flat angles P-C4'-P energy: -7.309 tors. eta vs tors. theta energy: -9.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 3 ===================================== Write number: 401 Temperature: 1.350000 Total energy: -94.115496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -94.115496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -94.115496 (E_RNA) where: Base-Base interactions energy: -43.603 where: short stacking energy: -40.746 Base-Backbone interact. energy: -0.047 local terms energy: -50.464854 where: bonds (distance) C4'-P energy: -11.389 bonds (distance) P-C4' energy: -10.842 flat angles C4'-P-C4' energy: -10.604 flat angles P-C4'-P energy: -7.772 tors. eta vs tors. theta energy: -9.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 402 Temperature: 0.900000 Total energy: -206.801611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.801611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.801611 (E_RNA) where: Base-Base interactions energy: -135.946 where: short stacking energy: -63.902 Base-Backbone interact. energy: -0.052 local terms energy: -70.803702 where: bonds (distance) C4'-P energy: -15.774 bonds (distance) P-C4' energy: -12.888 flat angles C4'-P-C4' energy: -16.528 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -16.881 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: 5 ===================================== Write number: 402 Temperature: 0.950000 Total energy: -204.956379 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.956379 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.956379 (E_RNA) where: Base-Base interactions energy: -132.377 where: short stacking energy: -61.420 Base-Backbone interact. energy: -0.001 local terms energy: -72.577957 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -15.135 flat angles C4'-P-C4' energy: -11.366 flat angles P-C4'-P energy: -11.465 tors. eta vs tors. theta energy: -20.151 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 402 Temperature: 1.000000 Total energy: -204.600833 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.600833 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.600833 (E_RNA) where: Base-Base interactions energy: -131.698 where: short stacking energy: -58.250 Base-Backbone interact. energy: -0.149 local terms energy: -72.754135 where: bonds (distance) C4'-P energy: -11.286 bonds (distance) P-C4' energy: -16.246 flat angles C4'-P-C4' energy: -13.391 flat angles P-C4'-P energy: -12.426 tors. eta vs tors. theta energy: -19.406 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 402 Temperature: 1.050000 Total energy: -195.341009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.341009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.341009 (E_RNA) where: Base-Base interactions energy: -122.872 where: short stacking energy: -57.188 Base-Backbone interact. energy: -0.310 local terms energy: -72.159184 where: bonds (distance) C4'-P energy: -12.694 bonds (distance) P-C4' energy: -15.076 flat angles C4'-P-C4' energy: -14.422 flat angles P-C4'-P energy: -12.770 tors. eta vs tors. theta energy: -17.198 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: 2 ===================================== Write number: 402 Temperature: 1.100000 Total energy: -186.876760 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.876760 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.876760 (E_RNA) where: Base-Base interactions energy: -115.314 where: short stacking energy: -57.364 Base-Backbone interact. energy: -0.000 local terms energy: -71.562090 where: bonds (distance) C4'-P energy: -15.100 bonds (distance) P-C4' energy: -12.181 flat angles C4'-P-C4' energy: -14.282 flat angles P-C4'-P energy: -11.675 tors. eta vs tors. theta energy: -18.323 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: 402 Temperature: 1.150000 Total energy: -173.762266 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.762266 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.762266 (E_RNA) where: Base-Base interactions energy: -115.857 where: short stacking energy: -50.750 Base-Backbone interact. energy: -0.006 local terms energy: -57.899370 where: bonds (distance) C4'-P energy: -12.830 bonds (distance) P-C4' energy: -13.460 flat angles C4'-P-C4' energy: -9.234 flat angles P-C4'-P energy: -7.365 tors. eta vs tors. theta energy: -15.011 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 402 Temperature: 1.200000 Total energy: -182.010615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.010615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.010615 (E_RNA) where: Base-Base interactions energy: -120.458 where: short stacking energy: -49.784 Base-Backbone interact. energy: 0.101 local terms energy: -61.654252 where: bonds (distance) C4'-P energy: -9.978 bonds (distance) P-C4' energy: -10.568 flat angles C4'-P-C4' energy: -15.978 flat angles P-C4'-P energy: -9.296 tors. eta vs tors. theta energy: -15.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 402 Temperature: 1.250000 Total energy: -175.354567 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.354567 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.354567 (E_RNA) where: Base-Base interactions energy: -110.428 where: short stacking energy: -48.554 Base-Backbone interact. energy: -0.210 local terms energy: -64.716398 where: bonds (distance) C4'-P energy: -14.023 bonds (distance) P-C4' energy: -11.633 flat angles C4'-P-C4' energy: -15.071 flat angles P-C4'-P energy: -10.795 tors. eta vs tors. theta energy: -13.195 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 402 Temperature: 1.300000 Total energy: -131.311111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -131.311111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -131.311111 (E_RNA) where: Base-Base interactions energy: -91.475 where: short stacking energy: -42.472 Base-Backbone interact. energy: -0.005 local terms energy: -39.830603 where: bonds (distance) C4'-P energy: -3.884 bonds (distance) P-C4' energy: -9.381 flat angles C4'-P-C4' energy: -8.473 flat angles P-C4'-P energy: -5.956 tors. eta vs tors. theta energy: -12.137 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 402 Temperature: 1.350000 Total energy: -68.893152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.893152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.893152 (E_RNA) where: Base-Base interactions energy: -25.683 where: short stacking energy: -25.683 Base-Backbone interact. energy: -0.339 local terms energy: -42.870630 where: bonds (distance) C4'-P energy: -9.753 bonds (distance) P-C4' energy: -9.616 flat angles C4'-P-C4' energy: -14.401 flat angles P-C4'-P energy: -5.648 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: 1, replica: 6 ===================================== Write number: 403 Temperature: 0.900000 Total energy: -208.599087 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.599087 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.599087 (E_RNA) where: Base-Base interactions energy: -137.472 where: short stacking energy: -65.097 Base-Backbone interact. energy: -0.033 local terms energy: -71.093851 where: bonds (distance) C4'-P energy: -14.752 bonds (distance) P-C4' energy: -11.110 flat angles C4'-P-C4' energy: -15.349 flat angles P-C4'-P energy: -12.240 tors. eta vs tors. theta energy: -17.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 403 Temperature: 0.950000 Total energy: -208.930117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.930117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.930117 (E_RNA) where: Base-Base interactions energy: -138.555 where: short stacking energy: -64.879 Base-Backbone interact. energy: -0.025 local terms energy: -70.349655 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -15.107 flat angles P-C4'-P energy: -10.211 tors. eta vs tors. theta energy: -18.307 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 403 Temperature: 1.000000 Total energy: -203.811338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.811338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.811338 (E_RNA) where: Base-Base interactions energy: -137.427 where: short stacking energy: -61.443 Base-Backbone interact. energy: -0.003 local terms energy: -66.380877 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -14.315 flat angles C4'-P-C4' energy: -13.498 flat angles P-C4'-P energy: -5.857 tors. eta vs tors. theta energy: -19.288 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 403 Temperature: 1.050000 Total energy: -200.452643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.452643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.452643 (E_RNA) where: Base-Base interactions energy: -134.173 where: short stacking energy: -63.169 Base-Backbone interact. energy: -0.001 local terms energy: -66.278709 where: bonds (distance) C4'-P energy: -9.080 bonds (distance) P-C4' energy: -12.467 flat angles C4'-P-C4' energy: -16.578 flat angles P-C4'-P energy: -10.830 tors. eta vs tors. theta energy: -17.323 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 403 Temperature: 1.100000 Total energy: -177.275979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.275979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.275979 (E_RNA) where: Base-Base interactions energy: -122.260 where: short stacking energy: -51.511 Base-Backbone interact. energy: -0.432 local terms energy: -54.584254 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -11.636 flat angles C4'-P-C4' energy: -13.792 flat angles P-C4'-P energy: -6.639 tors. eta vs tors. theta energy: -9.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 403 Temperature: 1.150000 Total energy: -186.889273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.889273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.889273 (E_RNA) where: Base-Base interactions energy: -125.342 where: short stacking energy: -57.049 Base-Backbone interact. energy: -0.041 local terms energy: -61.506601 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -14.076 flat angles C4'-P-C4' energy: -9.266 flat angles P-C4'-P energy: -7.574 tors. eta vs tors. theta energy: -17.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 403 Temperature: 1.200000 Total energy: -179.510452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.510452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.510452 (E_RNA) where: Base-Base interactions energy: -117.899 where: short stacking energy: -54.332 Base-Backbone interact. energy: -0.052 local terms energy: -61.559810 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -12.741 flat angles P-C4'-P energy: -7.973 tors. eta vs tors. theta energy: -15.158 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 403 Temperature: 1.250000 Total energy: -169.742713 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.742713 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.742713 (E_RNA) where: Base-Base interactions energy: -113.650 where: short stacking energy: -58.378 Base-Backbone interact. energy: -0.000 local terms energy: -56.092550 where: bonds (distance) C4'-P energy: -7.147 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -11.478 flat angles P-C4'-P energy: -5.960 tors. eta vs tors. theta energy: -16.143 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 3 ===================================== Write number: 403 Temperature: 1.300000 Total energy: -165.133948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.133948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.133948 (E_RNA) where: Base-Base interactions energy: -101.037 where: short stacking energy: -43.670 Base-Backbone interact. energy: 0.413 local terms energy: -64.509670 where: bonds (distance) C4'-P energy: -14.664 bonds (distance) P-C4' energy: -15.390 flat angles C4'-P-C4' energy: -12.751 flat angles P-C4'-P energy: -11.294 tors. eta vs tors. theta energy: -10.410 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 403 Temperature: 1.350000 Total energy: -75.773937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.773937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.773937 (E_RNA) where: Base-Base interactions energy: -28.701 where: short stacking energy: -28.268 Base-Backbone interact. energy: -0.173 local terms energy: -46.899792 where: bonds (distance) C4'-P energy: -13.749 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -9.908 flat angles P-C4'-P energy: -3.803 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: 1, replica: 1 ===================================== Write number: 404 Temperature: 0.900000 Total energy: -207.323604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.323604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.323604 (E_RNA) where: Base-Base interactions energy: -134.951 where: short stacking energy: -67.209 Base-Backbone interact. energy: -0.000 local terms energy: -72.372552 where: bonds (distance) C4'-P energy: -12.880 bonds (distance) P-C4' energy: -13.862 flat angles C4'-P-C4' energy: -15.482 flat angles P-C4'-P energy: -12.269 tors. eta vs tors. theta energy: -17.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 404 Temperature: 0.950000 Total energy: -206.466483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.466483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.466483 (E_RNA) where: Base-Base interactions energy: -132.740 where: short stacking energy: -54.821 Base-Backbone interact. energy: -0.001 local terms energy: -73.726098 where: bonds (distance) C4'-P energy: -14.499 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -15.594 flat angles P-C4'-P energy: -11.597 tors. eta vs tors. theta energy: -16.905 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: 3, replica: 2 ===================================== Write number: 404 Temperature: 1.000000 Total energy: -197.799566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.799566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.799566 (E_RNA) where: Base-Base interactions energy: -127.348 where: short stacking energy: -66.673 Base-Backbone interact. energy: -0.732 local terms energy: -69.720040 where: bonds (distance) C4'-P energy: -13.125 bonds (distance) P-C4' energy: -15.588 flat angles C4'-P-C4' energy: -13.568 flat angles P-C4'-P energy: -11.587 tors. eta vs tors. theta energy: -15.851 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: 5 ===================================== Write number: 404 Temperature: 1.050000 Total energy: -194.396679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.396679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.396679 (E_RNA) where: Base-Base interactions energy: -126.571 where: short stacking energy: -54.596 Base-Backbone interact. energy: -0.051 local terms energy: -67.774841 where: bonds (distance) C4'-P energy: -15.186 bonds (distance) P-C4' energy: -11.826 flat angles C4'-P-C4' energy: -16.651 flat angles P-C4'-P energy: -9.834 tors. eta vs tors. theta energy: -14.278 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 404 Temperature: 1.100000 Total energy: -182.207120 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.207120 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.207120 (E_RNA) where: Base-Base interactions energy: -128.849 where: short stacking energy: -59.504 Base-Backbone interact. energy: -0.061 local terms energy: -53.297356 where: bonds (distance) C4'-P energy: -8.148 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -11.758 flat angles P-C4'-P energy: -8.936 tors. eta vs tors. theta energy: -10.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 404 Temperature: 1.150000 Total energy: -170.287448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.287448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.287448 (E_RNA) where: Base-Base interactions energy: -113.445 where: short stacking energy: -44.325 Base-Backbone interact. energy: -0.346 local terms energy: -56.496151 where: bonds (distance) C4'-P energy: -14.428 bonds (distance) P-C4' energy: -10.771 flat angles C4'-P-C4' energy: -15.414 flat angles P-C4'-P energy: -7.893 tors. eta vs tors. theta energy: -7.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 404 Temperature: 1.200000 Total energy: -174.453836 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.453836 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.453836 (E_RNA) where: Base-Base interactions energy: -124.223 where: short stacking energy: -53.649 Base-Backbone interact. energy: 0.833 local terms energy: -51.063768 where: bonds (distance) C4'-P energy: -12.260 bonds (distance) P-C4' energy: -10.227 flat angles C4'-P-C4' energy: -7.591 flat angles P-C4'-P energy: -7.252 tors. eta vs tors. theta energy: -13.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 404 Temperature: 1.250000 Total energy: -154.733951 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.733951 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.733951 (E_RNA) where: Base-Base interactions energy: -98.141 where: short stacking energy: -41.631 Base-Backbone interact. energy: -0.510 local terms energy: -56.083036 where: bonds (distance) C4'-P energy: -6.727 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -14.014 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: -10.393 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: 9, replica: 3 ===================================== Write number: 404 Temperature: 1.300000 Total energy: -175.285078 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.285078 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.285078 (E_RNA) where: Base-Base interactions energy: -118.490 where: short stacking energy: -53.661 Base-Backbone interact. energy: -0.255 local terms energy: -56.540675 where: bonds (distance) C4'-P energy: -15.103 bonds (distance) P-C4' energy: -11.905 flat angles C4'-P-C4' energy: -10.031 flat angles P-C4'-P energy: -10.044 tors. eta vs tors. theta energy: -9.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 404 Temperature: 1.350000 Total energy: -74.029475 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.029475 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.029475 (E_RNA) where: Base-Base interactions energy: -29.565 where: short stacking energy: -27.604 Base-Backbone interact. energy: -0.321 local terms energy: -44.143657 where: bonds (distance) C4'-P energy: -10.794 bonds (distance) P-C4' energy: -12.832 flat angles C4'-P-C4' energy: -11.369 flat angles P-C4'-P energy: -8.352 tors. eta vs tors. theta energy: -0.797 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 405 Temperature: 0.900000 Total energy: -210.204536 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.204536 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.204536 (E_RNA) where: Base-Base interactions energy: -136.853 where: short stacking energy: -69.616 Base-Backbone interact. energy: -0.020 local terms energy: -73.331305 where: bonds (distance) C4'-P energy: -13.423 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -12.978 flat angles P-C4'-P energy: -11.906 tors. eta vs tors. theta energy: -19.559 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: 2 ===================================== Write number: 405 Temperature: 0.950000 Total energy: -204.007233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.007233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.007233 (E_RNA) where: Base-Base interactions energy: -133.173 where: short stacking energy: -69.193 Base-Backbone interact. energy: -0.585 local terms energy: -70.249720 where: bonds (distance) C4'-P energy: -14.259 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -14.848 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -19.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 405 Temperature: 1.000000 Total energy: -193.817242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.817242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.817242 (E_RNA) where: Base-Base interactions energy: -130.847 where: short stacking energy: -65.576 Base-Backbone interact. energy: -0.085 local terms energy: -62.884449 where: bonds (distance) C4'-P energy: -11.593 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -12.551 flat angles P-C4'-P energy: -8.222 tors. eta vs tors. theta energy: -17.043 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: 5 ===================================== Write number: 405 Temperature: 1.050000 Total energy: -200.513251 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.513251 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.513251 (E_RNA) where: Base-Base interactions energy: -127.443 where: short stacking energy: -64.304 Base-Backbone interact. energy: -0.005 local terms energy: -73.065380 where: bonds (distance) C4'-P energy: -14.333 bonds (distance) P-C4' energy: -13.110 flat angles C4'-P-C4' energy: -15.263 flat angles P-C4'-P energy: -13.448 tors. eta vs tors. theta energy: -16.913 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 405 Temperature: 1.100000 Total energy: -182.691890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.691890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.691890 (E_RNA) where: Base-Base interactions energy: -118.229 where: short stacking energy: -50.085 Base-Backbone interact. energy: -0.082 local terms energy: -64.381128 where: bonds (distance) C4'-P energy: -11.292 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -12.805 flat angles P-C4'-P energy: -8.769 tors. eta vs tors. theta energy: -16.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 405 Temperature: 1.150000 Total energy: -174.551034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.551034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.551034 (E_RNA) where: Base-Base interactions energy: -112.975 where: short stacking energy: -51.171 Base-Backbone interact. energy: -0.007 local terms energy: -61.568284 where: bonds (distance) C4'-P energy: -12.735 bonds (distance) P-C4' energy: -14.699 flat angles C4'-P-C4' energy: -12.407 flat angles P-C4'-P energy: -8.817 tors. eta vs tors. theta energy: -12.910 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 405 Temperature: 1.200000 Total energy: -172.500034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.500034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.500034 (E_RNA) where: Base-Base interactions energy: -112.958 where: short stacking energy: -53.122 Base-Backbone interact. energy: -0.047 local terms energy: -59.494881 where: bonds (distance) C4'-P energy: -9.120 bonds (distance) P-C4' energy: -11.718 flat angles C4'-P-C4' energy: -11.984 flat angles P-C4'-P energy: -13.458 tors. eta vs tors. theta energy: -13.215 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 405 Temperature: 1.250000 Total energy: -168.943965 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.943965 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.943965 (E_RNA) where: Base-Base interactions energy: -105.319 where: short stacking energy: -47.087 Base-Backbone interact. energy: -0.000 local terms energy: -63.624803 where: bonds (distance) C4'-P energy: -13.285 bonds (distance) P-C4' energy: -13.472 flat angles C4'-P-C4' energy: -12.996 flat angles P-C4'-P energy: -10.580 tors. eta vs tors. theta energy: -13.291 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: 10 ===================================== Write number: 405 Temperature: 1.300000 Total energy: -148.715580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.715580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.715580 (E_RNA) where: Base-Base interactions energy: -99.030 where: short stacking energy: -43.637 Base-Backbone interact. energy: -0.115 local terms energy: -49.570360 where: bonds (distance) C4'-P energy: -10.930 bonds (distance) P-C4' energy: -12.596 flat angles C4'-P-C4' energy: -12.666 flat angles P-C4'-P energy: -7.917 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: 10, replica: 8 ===================================== Write number: 405 Temperature: 1.350000 Total energy: -73.550767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.550767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.550767 (E_RNA) where: Base-Base interactions energy: -25.601 where: short stacking energy: -20.287 Base-Backbone interact. energy: -0.103 local terms energy: -47.846660 where: bonds (distance) C4'-P energy: -12.229 bonds (distance) P-C4' energy: -12.662 flat angles C4'-P-C4' energy: -12.058 flat angles P-C4'-P energy: -8.852 tors. eta vs tors. theta energy: -2.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 406 Temperature: 0.900000 Total energy: -207.712205 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.712205 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.712205 (E_RNA) where: Base-Base interactions energy: -138.953 where: short stacking energy: -62.433 Base-Backbone interact. energy: -0.015 local terms energy: -68.744199 where: bonds (distance) C4'-P energy: -12.237 bonds (distance) P-C4' energy: -13.908 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -9.773 tors. eta vs tors. theta energy: -19.991 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 406 Temperature: 0.950000 Total energy: -209.356937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.356937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.356937 (E_RNA) where: Base-Base interactions energy: -141.866 where: short stacking energy: -67.520 Base-Backbone interact. energy: -0.006 local terms energy: -67.484341 where: bonds (distance) C4'-P energy: -14.131 bonds (distance) P-C4' energy: -11.240 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -8.860 tors. eta vs tors. theta energy: -17.956 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: 6 ===================================== Write number: 406 Temperature: 1.000000 Total energy: -201.597705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.597705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.597705 (E_RNA) where: Base-Base interactions energy: -128.975 where: short stacking energy: -68.289 Base-Backbone interact. energy: -0.010 local terms energy: -72.613522 where: bonds (distance) C4'-P energy: -13.215 bonds (distance) P-C4' energy: -13.343 flat angles C4'-P-C4' energy: -16.263 flat angles P-C4'-P energy: -10.305 tors. eta vs tors. theta energy: -19.488 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 406 Temperature: 1.050000 Total energy: -193.434764 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.434764 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.434764 (E_RNA) where: Base-Base interactions energy: -129.085 where: short stacking energy: -54.819 Base-Backbone interact. energy: 0.151 local terms energy: -64.501053 where: bonds (distance) C4'-P energy: -11.840 bonds (distance) P-C4' energy: -14.427 flat angles C4'-P-C4' energy: -15.270 flat angles P-C4'-P energy: -10.077 tors. eta vs tors. theta energy: -12.887 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: 7 ===================================== Write number: 406 Temperature: 1.100000 Total energy: -192.152631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.152631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.152631 (E_RNA) where: Base-Base interactions energy: -127.257 where: short stacking energy: -53.526 Base-Backbone interact. energy: -0.118 local terms energy: -64.778247 where: bonds (distance) C4'-P energy: -11.737 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -6.913 tors. eta vs tors. theta energy: -15.390 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 406 Temperature: 1.150000 Total energy: -188.049094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.049094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.049094 (E_RNA) where: Base-Base interactions energy: -124.978 where: short stacking energy: -57.943 Base-Backbone interact. energy: -0.007 local terms energy: -63.064882 where: bonds (distance) C4'-P energy: -13.878 bonds (distance) P-C4' energy: -13.474 flat angles C4'-P-C4' energy: -15.359 flat angles P-C4'-P energy: -5.818 tors. eta vs tors. theta energy: -14.537 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: 3 ===================================== Write number: 406 Temperature: 1.200000 Total energy: -185.160343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.160343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.160343 (E_RNA) where: Base-Base interactions energy: -119.284 where: short stacking energy: -59.648 Base-Backbone interact. energy: -0.003 local terms energy: -65.873614 where: bonds (distance) C4'-P energy: -13.343 bonds (distance) P-C4' energy: -12.346 flat angles C4'-P-C4' energy: -13.939 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -16.198 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 406 Temperature: 1.250000 Total energy: -176.043136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.043136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.043136 (E_RNA) where: Base-Base interactions energy: -121.257 where: short stacking energy: -55.405 Base-Backbone interact. energy: -0.019 local terms energy: -54.767934 where: bonds (distance) C4'-P energy: -10.566 bonds (distance) P-C4' energy: -11.813 flat angles C4'-P-C4' energy: -10.449 flat angles P-C4'-P energy: -6.264 tors. eta vs tors. theta energy: -15.676 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 406 Temperature: 1.300000 Total energy: -79.758580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.758580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.758580 (E_RNA) where: Base-Base interactions energy: -36.525 where: short stacking energy: -32.372 Base-Backbone interact. energy: -0.023 local terms energy: -43.210277 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -8.659 flat angles C4'-P-C4' energy: -11.929 flat angles P-C4'-P energy: -10.518 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: 10, replica: 10 ===================================== Write number: 406 Temperature: 1.350000 Total energy: -72.827736 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.827736 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.827736 (E_RNA) where: Base-Base interactions energy: -37.266 where: short stacking energy: -27.770 Base-Backbone interact. energy: -0.001 local terms energy: -35.560873 where: bonds (distance) C4'-P energy: -9.456 bonds (distance) P-C4' energy: -9.944 flat angles C4'-P-C4' energy: -2.170 flat angles P-C4'-P energy: -7.175 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: 1, replica: 2 ===================================== Write number: 407 Temperature: 0.900000 Total energy: -206.929059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.929059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.929059 (E_RNA) where: Base-Base interactions energy: -138.761 where: short stacking energy: -68.670 Base-Backbone interact. energy: -0.031 local terms energy: -68.136456 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -11.527 flat angles C4'-P-C4' energy: -11.720 flat angles P-C4'-P energy: -11.849 tors. eta vs tors. theta energy: -17.903 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 407 Temperature: 0.950000 Total energy: -210.927327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.927327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.927327 (E_RNA) where: Base-Base interactions energy: -140.127 where: short stacking energy: -71.273 Base-Backbone interact. energy: -0.157 local terms energy: -70.643980 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -15.163 flat angles C4'-P-C4' energy: -14.201 flat angles P-C4'-P energy: -11.021 tors. eta vs tors. theta energy: -16.945 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 407 Temperature: 1.000000 Total energy: -203.590485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.590485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.590485 (E_RNA) where: Base-Base interactions energy: -139.177 where: short stacking energy: -60.628 Base-Backbone interact. energy: -0.005 local terms energy: -64.408869 where: bonds (distance) C4'-P energy: -9.502 bonds (distance) P-C4' energy: -12.626 flat angles C4'-P-C4' energy: -13.957 flat angles P-C4'-P energy: -10.095 tors. eta vs tors. theta energy: -18.230 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: 5 ===================================== Write number: 407 Temperature: 1.050000 Total energy: -202.912609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.912609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.912609 (E_RNA) where: Base-Base interactions energy: -131.124 where: short stacking energy: -59.062 Base-Backbone interact. energy: -0.112 local terms energy: -71.675915 where: bonds (distance) C4'-P energy: -10.983 bonds (distance) P-C4' energy: -15.840 flat angles C4'-P-C4' energy: -14.927 flat angles P-C4'-P energy: -12.417 tors. eta vs tors. theta energy: -17.509 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: 407 Temperature: 1.100000 Total energy: -183.775104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.775104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.775104 (E_RNA) where: Base-Base interactions energy: -116.548 where: short stacking energy: -56.405 Base-Backbone interact. energy: -0.118 local terms energy: -67.109691 where: bonds (distance) C4'-P energy: -14.197 bonds (distance) P-C4' energy: -14.150 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -7.451 tors. eta vs tors. theta energy: -17.816 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: 6, replica: 3 ===================================== Write number: 407 Temperature: 1.150000 Total energy: -185.233711 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.233711 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.233711 (E_RNA) where: Base-Base interactions energy: -122.543 where: short stacking energy: -55.693 Base-Backbone interact. energy: -0.006 local terms energy: -62.683855 where: bonds (distance) C4'-P energy: -12.706 bonds (distance) P-C4' energy: -12.718 flat angles C4'-P-C4' energy: -11.445 flat angles P-C4'-P energy: -11.417 tors. eta vs tors. theta energy: -14.397 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: 4 ===================================== Write number: 407 Temperature: 1.200000 Total energy: -181.490589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.490589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.490589 (E_RNA) where: Base-Base interactions energy: -118.368 where: short stacking energy: -52.853 Base-Backbone interact. energy: -0.575 local terms energy: -62.547385 where: bonds (distance) C4'-P energy: -12.718 bonds (distance) P-C4' energy: -13.864 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -7.059 tors. eta vs tors. theta energy: -16.369 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 407 Temperature: 1.250000 Total energy: -167.288935 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.288935 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.288935 (E_RNA) where: Base-Base interactions energy: -112.188 where: short stacking energy: -48.748 Base-Backbone interact. energy: -0.294 local terms energy: -54.807132 where: bonds (distance) C4'-P energy: -9.543 bonds (distance) P-C4' energy: -10.824 flat angles C4'-P-C4' energy: -13.331 flat angles P-C4'-P energy: -7.218 tors. eta vs tors. theta energy: -13.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 407 Temperature: 1.300000 Total energy: -97.475432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -97.475432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -97.475432 (E_RNA) where: Base-Base interactions energy: -54.801 where: short stacking energy: -27.623 Base-Backbone interact. energy: -0.155 local terms energy: -42.518998 where: bonds (distance) C4'-P energy: -12.503 bonds (distance) P-C4' energy: -13.602 flat angles C4'-P-C4' energy: -6.683 flat angles P-C4'-P energy: -7.811 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: 10, replica: 10 ===================================== Write number: 407 Temperature: 1.350000 Total energy: -80.849937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.849937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.849937 (E_RNA) where: Base-Base interactions energy: -34.720 where: short stacking energy: -20.747 Base-Backbone interact. energy: -0.251 local terms energy: -45.879376 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -15.720 flat angles C4'-P-C4' energy: -7.409 flat angles P-C4'-P energy: -8.823 tors. eta vs tors. theta energy: 0.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 408 Temperature: 0.900000 Total energy: -210.364653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.364653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.364653 (E_RNA) where: Base-Base interactions energy: -140.660 where: short stacking energy: -64.338 Base-Backbone interact. energy: -0.018 local terms energy: -69.687380 where: bonds (distance) C4'-P energy: -12.125 bonds (distance) P-C4' energy: -13.720 flat angles C4'-P-C4' energy: -15.312 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -18.116 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 408 Temperature: 0.950000 Total energy: -205.589993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.589993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.589993 (E_RNA) where: Base-Base interactions energy: -138.327 where: short stacking energy: -61.873 Base-Backbone interact. energy: -0.003 local terms energy: -67.259518 where: bonds (distance) C4'-P energy: -8.127 bonds (distance) P-C4' energy: -16.249 flat angles C4'-P-C4' energy: -13.503 flat angles P-C4'-P energy: -10.874 tors. eta vs tors. theta energy: -18.506 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: 5 ===================================== Write number: 408 Temperature: 1.000000 Total energy: -207.685617 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.685617 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.685617 (E_RNA) where: Base-Base interactions energy: -136.759 where: short stacking energy: -64.917 Base-Backbone interact. energy: -0.007 local terms energy: -70.919598 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -13.332 flat angles C4'-P-C4' energy: -13.809 flat angles P-C4'-P energy: -10.361 tors. eta vs tors. theta energy: -20.243 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: 4, replica: 1 ===================================== Write number: 408 Temperature: 1.050000 Total energy: -199.742601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.742601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.742601 (E_RNA) where: Base-Base interactions energy: -136.981 where: short stacking energy: -63.476 Base-Backbone interact. energy: -0.005 local terms energy: -62.756376 where: bonds (distance) C4'-P energy: -9.811 bonds (distance) P-C4' energy: -10.128 flat angles C4'-P-C4' energy: -16.383 flat angles P-C4'-P energy: -9.533 tors. eta vs tors. theta energy: -16.901 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: 3 ===================================== Write number: 408 Temperature: 1.100000 Total energy: -195.575884 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.575884 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.575884 (E_RNA) where: Base-Base interactions energy: -130.058 where: short stacking energy: -57.662 Base-Backbone interact. energy: -0.001 local terms energy: -65.517422 where: bonds (distance) C4'-P energy: -14.317 bonds (distance) P-C4' energy: -13.117 flat angles C4'-P-C4' energy: -14.690 flat angles P-C4'-P energy: -11.117 tors. eta vs tors. theta energy: -12.276 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 408 Temperature: 1.150000 Total energy: -182.837363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.837363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.837363 (E_RNA) where: Base-Base interactions energy: -120.669 where: short stacking energy: -53.700 Base-Backbone interact. energy: -0.602 local terms energy: -61.566447 where: bonds (distance) C4'-P energy: -11.310 bonds (distance) P-C4' energy: -13.297 flat angles C4'-P-C4' energy: -13.523 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -13.946 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: 7, replica: 9 ===================================== Write number: 408 Temperature: 1.200000 Total energy: -176.235029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.235029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.235029 (E_RNA) where: Base-Base interactions energy: -117.051 where: short stacking energy: -52.830 Base-Backbone interact. energy: 1.120 local terms energy: -60.304404 where: bonds (distance) C4'-P energy: -12.871 bonds (distance) P-C4' energy: -15.691 flat angles C4'-P-C4' energy: -9.440 flat angles P-C4'-P energy: -10.824 tors. eta vs tors. theta energy: -11.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 408 Temperature: 1.250000 Total energy: -156.529323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -156.529323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -156.529323 (E_RNA) where: Base-Base interactions energy: -102.409 where: short stacking energy: -49.057 Base-Backbone interact. energy: -0.029 local terms energy: -54.091245 where: bonds (distance) C4'-P energy: -10.623 bonds (distance) P-C4' energy: -11.666 flat angles C4'-P-C4' energy: -12.119 flat angles P-C4'-P energy: -8.883 tors. eta vs tors. theta energy: -10.800 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 408 Temperature: 1.300000 Total energy: -91.345248 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.345248 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.345248 (E_RNA) where: Base-Base interactions energy: -38.885 where: short stacking energy: -38.885 Base-Backbone interact. energy: -0.004 local terms energy: -52.456772 where: bonds (distance) C4'-P energy: -8.039 bonds (distance) P-C4' energy: -13.503 flat angles C4'-P-C4' energy: -12.331 flat angles P-C4'-P energy: -8.459 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: 10, replica: 8 ===================================== Write number: 408 Temperature: 1.350000 Total energy: -102.770930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -102.770930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -102.770930 (E_RNA) where: Base-Base interactions energy: -62.822 where: short stacking energy: -35.362 Base-Backbone interact. energy: 1.190 local terms energy: -41.138179 where: bonds (distance) C4'-P energy: -9.758 bonds (distance) P-C4' energy: -13.585 flat angles C4'-P-C4' energy: -10.221 flat angles P-C4'-P energy: -5.722 tors. eta vs tors. theta energy: -1.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 409 Temperature: 0.900000 Total energy: -204.210907 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.210907 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.210907 (E_RNA) where: Base-Base interactions energy: -135.317 where: short stacking energy: -62.456 Base-Backbone interact. energy: -0.001 local terms energy: -68.892885 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -13.252 flat angles C4'-P-C4' energy: -14.736 flat angles P-C4'-P energy: -9.536 tors. eta vs tors. theta energy: -17.201 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 409 Temperature: 0.950000 Total energy: -206.359869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.359869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.359869 (E_RNA) where: Base-Base interactions energy: -131.994 where: short stacking energy: -67.645 Base-Backbone interact. energy: -0.007 local terms energy: -74.358411 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -13.058 flat angles C4'-P-C4' energy: -15.747 flat angles P-C4'-P energy: -13.674 tors. eta vs tors. theta energy: -17.472 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: 3, replica: 6 ===================================== Write number: 409 Temperature: 1.000000 Total energy: -203.632964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.632964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.632964 (E_RNA) where: Base-Base interactions energy: -132.243 where: short stacking energy: -61.171 Base-Backbone interact. energy: -0.062 local terms energy: -71.328339 where: bonds (distance) C4'-P energy: -13.389 bonds (distance) P-C4' energy: -15.945 flat angles C4'-P-C4' energy: -13.118 flat angles P-C4'-P energy: -11.134 tors. eta vs tors. theta energy: -17.742 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 409 Temperature: 1.050000 Total energy: -204.334735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.334735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.334735 (E_RNA) where: Base-Base interactions energy: -140.687 where: short stacking energy: -65.957 Base-Backbone interact. energy: -0.010 local terms energy: -63.637338 where: bonds (distance) C4'-P energy: -6.734 bonds (distance) P-C4' energy: -14.209 flat angles C4'-P-C4' energy: -13.076 flat angles P-C4'-P energy: -12.528 tors. eta vs tors. theta energy: -17.091 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 409 Temperature: 1.100000 Total energy: -195.511751 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.511751 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.511751 (E_RNA) where: Base-Base interactions energy: -130.445 where: short stacking energy: -67.974 Base-Backbone interact. energy: -0.343 local terms energy: -64.723462 where: bonds (distance) C4'-P energy: -14.242 bonds (distance) P-C4' energy: -9.439 flat angles C4'-P-C4' energy: -13.804 flat angles P-C4'-P energy: -6.220 tors. eta vs tors. theta energy: -21.018 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 409 Temperature: 1.150000 Total energy: -181.325041 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.325041 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.325041 (E_RNA) where: Base-Base interactions energy: -119.073 where: short stacking energy: -53.584 Base-Backbone interact. energy: -1.037 local terms energy: -61.214564 where: bonds (distance) C4'-P energy: -12.535 bonds (distance) P-C4' energy: -14.259 flat angles C4'-P-C4' energy: -13.471 flat angles P-C4'-P energy: -6.369 tors. eta vs tors. theta energy: -14.580 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: 9 ===================================== Write number: 409 Temperature: 1.200000 Total energy: -161.603237 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.603237 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.603237 (E_RNA) where: Base-Base interactions energy: -105.681 where: short stacking energy: -42.803 Base-Backbone interact. energy: -0.007 local terms energy: -55.915756 where: bonds (distance) C4'-P energy: -11.977 bonds (distance) P-C4' energy: -15.304 flat angles C4'-P-C4' energy: -13.848 flat angles P-C4'-P energy: -6.736 tors. eta vs tors. theta energy: -8.050 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 409 Temperature: 1.250000 Total energy: -164.080322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.080322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.080322 (E_RNA) where: Base-Base interactions energy: -108.492 where: short stacking energy: -43.995 Base-Backbone interact. energy: -0.114 local terms energy: -55.474525 where: bonds (distance) C4'-P energy: -9.468 bonds (distance) P-C4' energy: -11.808 flat angles C4'-P-C4' energy: -12.470 flat angles P-C4'-P energy: -8.426 tors. eta vs tors. theta energy: -13.303 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: 10 ===================================== Write number: 409 Temperature: 1.300000 Total energy: -75.335476 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.335476 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.335476 (E_RNA) where: Base-Base interactions energy: -31.954 where: short stacking energy: -31.954 Base-Backbone interact. energy: -0.021 local terms energy: -43.360016 where: bonds (distance) C4'-P energy: -8.164 bonds (distance) P-C4' energy: -14.832 flat angles C4'-P-C4' energy: -10.503 flat angles P-C4'-P energy: -5.909 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: 10, replica: 8 ===================================== Write number: 409 Temperature: 1.350000 Total energy: -71.826009 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.826009 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.826009 (E_RNA) where: Base-Base interactions energy: -24.011 where: short stacking energy: -24.011 Base-Backbone interact. energy: -0.038 local terms energy: -47.777144 where: bonds (distance) C4'-P energy: -13.628 bonds (distance) P-C4' energy: -11.721 flat angles C4'-P-C4' energy: -13.113 flat angles P-C4'-P energy: -7.757 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: 1, replica: 5 ===================================== Write number: 410 Temperature: 0.900000 Total energy: -208.541955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.541955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.541955 (E_RNA) where: Base-Base interactions energy: -140.801 where: short stacking energy: -59.309 Base-Backbone interact. energy: -0.028 local terms energy: -67.713071 where: bonds (distance) C4'-P energy: -14.933 bonds (distance) P-C4' energy: -13.542 flat angles C4'-P-C4' energy: -15.074 flat angles P-C4'-P energy: -11.291 tors. eta vs tors. theta energy: -12.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 410 Temperature: 0.950000 Total energy: -203.424005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.424005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.424005 (E_RNA) where: Base-Base interactions energy: -137.226 where: short stacking energy: -67.955 Base-Backbone interact. energy: -0.008 local terms energy: -66.189884 where: bonds (distance) C4'-P energy: -13.140 bonds (distance) P-C4' energy: -11.807 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -7.872 tors. eta vs tors. theta energy: -18.305 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: 6 ===================================== Write number: 410 Temperature: 1.000000 Total energy: -198.359781 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.359781 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.359781 (E_RNA) where: Base-Base interactions energy: -126.875 where: short stacking energy: -57.223 Base-Backbone interact. energy: -0.079 local terms energy: -71.405693 where: bonds (distance) C4'-P energy: -12.765 bonds (distance) P-C4' energy: -15.717 flat angles C4'-P-C4' energy: -13.496 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -17.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 410 Temperature: 1.050000 Total energy: -191.335879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.335879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.335879 (E_RNA) where: Base-Base interactions energy: -129.109 where: short stacking energy: -62.349 Base-Backbone interact. energy: -0.186 local terms energy: -62.041665 where: bonds (distance) C4'-P energy: -9.668 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -13.960 flat angles P-C4'-P energy: -3.737 tors. eta vs tors. theta energy: -19.446 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 410 Temperature: 1.100000 Total energy: -185.296879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.296879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.296879 (E_RNA) where: Base-Base interactions energy: -116.475 where: short stacking energy: -55.321 Base-Backbone interact. energy: -0.000 local terms energy: -68.821675 where: bonds (distance) C4'-P energy: -11.691 bonds (distance) P-C4' energy: -17.137 flat angles C4'-P-C4' energy: -14.648 flat angles P-C4'-P energy: -7.870 tors. eta vs tors. theta energy: -17.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 410 Temperature: 1.150000 Total energy: -175.925766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.925766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.925766 (E_RNA) where: Base-Base interactions energy: -114.207 where: short stacking energy: -55.943 Base-Backbone interact. energy: -0.653 local terms energy: -61.066668 where: bonds (distance) C4'-P energy: -10.832 bonds (distance) P-C4' energy: -12.665 flat angles C4'-P-C4' energy: -12.903 flat angles P-C4'-P energy: -10.529 tors. eta vs tors. theta energy: -14.138 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: 9 ===================================== Write number: 410 Temperature: 1.200000 Total energy: -172.083955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.083955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.083955 (E_RNA) where: Base-Base interactions energy: -112.521 where: short stacking energy: -46.590 Base-Backbone interact. energy: -0.515 local terms energy: -59.048012 where: bonds (distance) C4'-P energy: -11.514 bonds (distance) P-C4' energy: -14.018 flat angles C4'-P-C4' energy: -12.855 flat angles P-C4'-P energy: -10.811 tors. eta vs tors. theta energy: -9.850 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 410 Temperature: 1.250000 Total energy: -185.739036 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.739036 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.739036 (E_RNA) where: Base-Base interactions energy: -118.852 where: short stacking energy: -54.374 Base-Backbone interact. energy: -0.001 local terms energy: -66.885495 where: bonds (distance) C4'-P energy: -11.132 bonds (distance) P-C4' energy: -15.054 flat angles C4'-P-C4' energy: -13.169 flat angles P-C4'-P energy: -11.160 tors. eta vs tors. theta energy: -16.370 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 410 Temperature: 1.300000 Total energy: -95.777158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.777158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.777158 (E_RNA) where: Base-Base interactions energy: -52.067 where: short stacking energy: -31.928 Base-Backbone interact. energy: -0.175 local terms energy: -43.535060 where: bonds (distance) C4'-P energy: -10.467 bonds (distance) P-C4' energy: -14.861 flat angles C4'-P-C4' energy: -10.345 flat angles P-C4'-P energy: -4.887 tors. eta vs tors. theta energy: -2.975 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 410 Temperature: 1.350000 Total energy: -71.438689 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.438689 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.438689 (E_RNA) where: Base-Base interactions energy: -23.141 where: short stacking energy: -23.141 Base-Backbone interact. energy: -0.032 local terms energy: -48.266530 where: bonds (distance) C4'-P energy: -10.241 bonds (distance) P-C4' energy: -11.503 flat angles C4'-P-C4' energy: -15.934 flat angles P-C4'-P energy: -7.383 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: 411 Temperature: 0.900000 Total energy: -210.322025 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.322025 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.322025 (E_RNA) where: Base-Base interactions energy: -142.859 where: short stacking energy: -72.009 Base-Backbone interact. energy: -0.000 local terms energy: -67.463243 where: bonds (distance) C4'-P energy: -15.198 bonds (distance) P-C4' energy: -11.192 flat angles C4'-P-C4' energy: -12.327 flat angles P-C4'-P energy: -8.710 tors. eta vs tors. theta energy: -20.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 411 Temperature: 0.950000 Total energy: -186.228008 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.228008 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.228008 (E_RNA) where: Base-Base interactions energy: -123.251 where: short stacking energy: -51.707 Base-Backbone interact. energy: -0.065 local terms energy: -62.911737 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -11.159 flat angles C4'-P-C4' energy: -15.497 flat angles P-C4'-P energy: -9.496 tors. eta vs tors. theta energy: -15.867 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 411 Temperature: 1.000000 Total energy: -202.127848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.127848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.127848 (E_RNA) where: Base-Base interactions energy: -138.517 where: short stacking energy: -64.204 Base-Backbone interact. energy: -0.001 local terms energy: -63.610230 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -15.350 flat angles C4'-P-C4' energy: -12.725 flat angles P-C4'-P energy: -6.815 tors. eta vs tors. theta energy: -15.774 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 411 Temperature: 1.050000 Total energy: -188.439298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.439298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.439298 (E_RNA) where: Base-Base interactions energy: -124.544 where: short stacking energy: -59.139 Base-Backbone interact. energy: -0.004 local terms energy: -63.890809 where: bonds (distance) C4'-P energy: -10.536 bonds (distance) P-C4' energy: -13.258 flat angles C4'-P-C4' energy: -14.132 flat angles P-C4'-P energy: -8.990 tors. eta vs tors. theta energy: -16.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 411 Temperature: 1.100000 Total energy: -189.711924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.711924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.711924 (E_RNA) where: Base-Base interactions energy: -123.971 where: short stacking energy: -61.854 Base-Backbone interact. energy: -0.041 local terms energy: -65.700049 where: bonds (distance) C4'-P energy: -11.778 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -13.987 flat angles P-C4'-P energy: -12.294 tors. eta vs tors. theta energy: -13.513 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 411 Temperature: 1.150000 Total energy: -179.758472 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.758472 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.758472 (E_RNA) where: Base-Base interactions energy: -116.094 where: short stacking energy: -50.919 Base-Backbone interact. energy: 0.303 local terms energy: -63.967553 where: bonds (distance) C4'-P energy: -11.212 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -17.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 411 Temperature: 1.200000 Total energy: -171.575245 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.575245 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.575245 (E_RNA) where: Base-Base interactions energy: -109.979 where: short stacking energy: -49.679 Base-Backbone interact. energy: -0.250 local terms energy: -61.346378 where: bonds (distance) C4'-P energy: -12.847 bonds (distance) P-C4' energy: -13.685 flat angles C4'-P-C4' energy: -15.400 flat angles P-C4'-P energy: -7.736 tors. eta vs tors. theta energy: -11.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 4 ===================================== Write number: 411 Temperature: 1.250000 Total energy: -181.103186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.103186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.103186 (E_RNA) where: Base-Base interactions energy: -117.425 where: short stacking energy: -50.468 Base-Backbone interact. energy: -0.004 local terms energy: -63.674324 where: bonds (distance) C4'-P energy: -13.128 bonds (distance) P-C4' energy: -14.786 flat angles C4'-P-C4' energy: -12.747 flat angles P-C4'-P energy: -4.838 tors. eta vs tors. theta energy: -18.176 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 411 Temperature: 1.300000 Total energy: -74.197808 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.197808 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.197808 (E_RNA) where: Base-Base interactions energy: -18.141 where: short stacking energy: -15.525 Base-Backbone interact. energy: -1.650 local terms energy: -54.405936 where: bonds (distance) C4'-P energy: -15.012 bonds (distance) P-C4' energy: -13.301 flat angles C4'-P-C4' energy: -11.389 flat angles P-C4'-P energy: -7.775 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: 10, replica: 10 ===================================== Write number: 411 Temperature: 1.350000 Total energy: -76.261068 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.261068 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.261068 (E_RNA) where: Base-Base interactions energy: -25.494 where: short stacking energy: -25.494 Base-Backbone interact. energy: -0.160 local terms energy: -50.607176 where: bonds (distance) C4'-P energy: -12.872 bonds (distance) P-C4' energy: -14.342 flat angles C4'-P-C4' energy: -12.555 flat angles P-C4'-P energy: -6.884 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: 1, replica: 6 ===================================== Write number: 412 Temperature: 0.900000 Total energy: -201.092163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.092163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.092163 (E_RNA) where: Base-Base interactions energy: -135.197 where: short stacking energy: -68.272 Base-Backbone interact. energy: -0.016 local terms energy: -65.879122 where: bonds (distance) C4'-P energy: -6.306 bonds (distance) P-C4' energy: -14.902 flat angles C4'-P-C4' energy: -15.402 flat angles P-C4'-P energy: -11.762 tors. eta vs tors. theta energy: -17.507 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 412 Temperature: 0.950000 Total energy: -200.014495 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.014495 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.014495 (E_RNA) where: Base-Base interactions energy: -134.024 where: short stacking energy: -58.503 Base-Backbone interact. energy: -0.007 local terms energy: -65.983136 where: bonds (distance) C4'-P energy: -8.162 bonds (distance) P-C4' energy: -16.622 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -8.481 tors. eta vs tors. theta energy: -16.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 412 Temperature: 1.000000 Total energy: -200.346488 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.346488 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.346488 (E_RNA) where: Base-Base interactions energy: -129.576 where: short stacking energy: -56.742 Base-Backbone interact. energy: -0.144 local terms energy: -70.626460 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -14.433 flat angles C4'-P-C4' energy: -14.419 flat angles P-C4'-P energy: -11.736 tors. eta vs tors. theta energy: -16.851 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: 2 ===================================== Write number: 412 Temperature: 1.050000 Total energy: -202.008601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.008601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.008601 (E_RNA) where: Base-Base interactions energy: -139.433 where: short stacking energy: -56.433 Base-Backbone interact. energy: 0.681 local terms energy: -63.256047 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -10.816 flat angles C4'-P-C4' energy: -15.597 flat angles P-C4'-P energy: -9.871 tors. eta vs tors. theta energy: -16.688 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: 3 ===================================== Write number: 412 Temperature: 1.100000 Total energy: -193.715727 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.715727 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.715727 (E_RNA) where: Base-Base interactions energy: -126.281 where: short stacking energy: -59.568 Base-Backbone interact. energy: -0.014 local terms energy: -67.421076 where: bonds (distance) C4'-P energy: -12.219 bonds (distance) P-C4' energy: -15.910 flat angles C4'-P-C4' energy: -12.769 flat angles P-C4'-P energy: -10.186 tors. eta vs tors. theta energy: -16.338 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: 412 Temperature: 1.150000 Total energy: -183.395077 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.395077 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.395077 (E_RNA) where: Base-Base interactions energy: -121.690 where: short stacking energy: -50.122 Base-Backbone interact. energy: -0.133 local terms energy: -61.572761 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -11.672 flat angles C4'-P-C4' energy: -13.461 flat angles P-C4'-P energy: -10.261 tors. eta vs tors. theta energy: -13.837 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 412 Temperature: 1.200000 Total energy: -178.199848 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.199848 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.199848 (E_RNA) where: Base-Base interactions energy: -117.746 where: short stacking energy: -51.230 Base-Backbone interact. energy: -0.130 local terms energy: -60.324399 where: bonds (distance) C4'-P energy: -13.241 bonds (distance) P-C4' energy: -16.454 flat angles C4'-P-C4' energy: -12.626 flat angles P-C4'-P energy: -7.762 tors. eta vs tors. theta energy: -10.243 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: 1 ===================================== Write number: 412 Temperature: 1.250000 Total energy: -160.068163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.068163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.068163 (E_RNA) where: Base-Base interactions energy: -106.218 where: short stacking energy: -49.875 Base-Backbone interact. energy: 0.107 local terms energy: -53.957167 where: bonds (distance) C4'-P energy: -8.996 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -15.691 flat angles P-C4'-P energy: -5.487 tors. eta vs tors. theta energy: -9.698 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: 9, replica: 8 ===================================== Write number: 412 Temperature: 1.300000 Total energy: -81.678503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.678503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.678503 (E_RNA) where: Base-Base interactions energy: -45.266 where: short stacking energy: -26.068 Base-Backbone interact. energy: -0.275 local terms energy: -36.137445 where: bonds (distance) C4'-P energy: -9.585 bonds (distance) P-C4' energy: -11.417 flat angles C4'-P-C4' energy: -11.750 flat angles P-C4'-P energy: -1.232 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: 10, replica: 10 ===================================== Write number: 412 Temperature: 1.350000 Total energy: -73.761623 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.761623 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.761623 (E_RNA) where: Base-Base interactions energy: -37.041 where: short stacking energy: -34.189 Base-Backbone interact. energy: -0.170 local terms energy: -36.551273 where: bonds (distance) C4'-P energy: -10.897 bonds (distance) P-C4' energy: -8.750 flat angles C4'-P-C4' energy: -7.301 flat angles P-C4'-P energy: -4.081 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: 1, replica: 6 ===================================== Write number: 413 Temperature: 0.900000 Total energy: -205.760761 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.760761 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.760761 (E_RNA) where: Base-Base interactions energy: -135.187 where: short stacking energy: -70.201 Base-Backbone interact. energy: -0.001 local terms energy: -70.573109 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -15.687 flat angles C4'-P-C4' energy: -14.844 flat angles P-C4'-P energy: -10.417 tors. eta vs tors. theta energy: -17.357 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: 5 ===================================== Write number: 413 Temperature: 0.950000 Total energy: -210.704399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.704399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.704399 (E_RNA) where: Base-Base interactions energy: -145.796 where: short stacking energy: -66.327 Base-Backbone interact. energy: -0.017 local terms energy: -64.890627 where: bonds (distance) C4'-P energy: -11.543 bonds (distance) P-C4' energy: -11.128 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -18.828 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: 7 ===================================== Write number: 413 Temperature: 1.000000 Total energy: -207.131544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.131544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.131544 (E_RNA) where: Base-Base interactions energy: -135.919 where: short stacking energy: -63.357 Base-Backbone interact. energy: -0.013 local terms energy: -71.199301 where: bonds (distance) C4'-P energy: -14.887 bonds (distance) P-C4' energy: -10.411 flat angles C4'-P-C4' energy: -14.933 flat angles P-C4'-P energy: -11.654 tors. eta vs tors. theta energy: -19.315 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 413 Temperature: 1.050000 Total energy: -196.579165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.579165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.579165 (E_RNA) where: Base-Base interactions energy: -130.380 where: short stacking energy: -56.206 Base-Backbone interact. energy: -1.375 local terms energy: -64.823994 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -12.558 flat angles P-C4'-P energy: -10.242 tors. eta vs tors. theta energy: -16.709 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 413 Temperature: 1.100000 Total energy: -185.458123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.458123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.458123 (E_RNA) where: Base-Base interactions energy: -123.179 where: short stacking energy: -60.108 Base-Backbone interact. energy: -0.001 local terms energy: -62.278117 where: bonds (distance) C4'-P energy: -11.382 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -8.504 tors. eta vs tors. theta energy: -16.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 413 Temperature: 1.150000 Total energy: -191.221422 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.221422 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.221422 (E_RNA) where: Base-Base interactions energy: -126.531 where: short stacking energy: -63.667 Base-Backbone interact. energy: -0.026 local terms energy: -64.664754 where: bonds (distance) C4'-P energy: -11.112 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -15.385 flat angles P-C4'-P energy: -5.885 tors. eta vs tors. theta energy: -19.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 413 Temperature: 1.200000 Total energy: -179.016020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.016020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.016020 (E_RNA) where: Base-Base interactions energy: -127.141 where: short stacking energy: -56.007 Base-Backbone interact. energy: -0.011 local terms energy: -51.864553 where: bonds (distance) C4'-P energy: -8.654 bonds (distance) P-C4' energy: -8.018 flat angles C4'-P-C4' energy: -12.020 flat angles P-C4'-P energy: -8.160 tors. eta vs tors. theta energy: -15.013 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 413 Temperature: 1.250000 Total energy: -169.064498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.064498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.064498 (E_RNA) where: Base-Base interactions energy: -112.709 where: short stacking energy: -55.150 Base-Backbone interact. energy: -0.284 local terms energy: -56.071939 where: bonds (distance) C4'-P energy: -12.813 bonds (distance) P-C4' energy: -12.294 flat angles C4'-P-C4' energy: -8.733 flat angles P-C4'-P energy: -6.982 tors. eta vs tors. theta energy: -15.248 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 413 Temperature: 1.300000 Total energy: -79.658639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.658639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.658639 (E_RNA) where: Base-Base interactions energy: -31.865 where: short stacking energy: -30.813 Base-Backbone interact. energy: -0.074 local terms energy: -47.719343 where: bonds (distance) C4'-P energy: -11.986 bonds (distance) P-C4' energy: -10.292 flat angles C4'-P-C4' energy: -13.488 flat angles P-C4'-P energy: -6.338 tors. eta vs tors. theta energy: -5.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 413 Temperature: 1.350000 Total energy: -82.873165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.873165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.873165 (E_RNA) where: Base-Base interactions energy: -27.363 where: short stacking energy: -23.028 Base-Backbone interact. energy: -0.145 local terms energy: -55.365504 where: bonds (distance) C4'-P energy: -13.397 bonds (distance) P-C4' energy: -14.603 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -9.151 tors. eta vs tors. theta energy: -4.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 414 Temperature: 0.900000 Total energy: -207.957192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.957192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.957192 (E_RNA) where: Base-Base interactions energy: -131.876 where: short stacking energy: -63.346 Base-Backbone interact. energy: -0.058 local terms energy: -76.023901 where: bonds (distance) C4'-P energy: -14.714 bonds (distance) P-C4' energy: -15.181 flat angles C4'-P-C4' energy: -14.477 flat angles P-C4'-P energy: -13.238 tors. eta vs tors. theta energy: -18.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 414 Temperature: 0.950000 Total energy: -195.964883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.964883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.964883 (E_RNA) where: Base-Base interactions energy: -132.040 where: short stacking energy: -56.335 Base-Backbone interact. energy: -0.102 local terms energy: -63.822613 where: bonds (distance) C4'-P energy: -12.230 bonds (distance) P-C4' energy: -13.627 flat angles C4'-P-C4' energy: -15.522 flat angles P-C4'-P energy: -9.004 tors. eta vs tors. theta energy: -13.440 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: 2 ===================================== Write number: 414 Temperature: 1.000000 Total energy: -194.195871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.195871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.195871 (E_RNA) where: Base-Base interactions energy: -131.461 where: short stacking energy: -57.011 Base-Backbone interact. energy: -0.030 local terms energy: -62.704403 where: bonds (distance) C4'-P energy: -7.428 bonds (distance) P-C4' energy: -13.218 flat angles C4'-P-C4' energy: -13.453 flat angles P-C4'-P energy: -10.450 tors. eta vs tors. theta energy: -18.156 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: 7 ===================================== Write number: 414 Temperature: 1.050000 Total energy: -181.140862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.140862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.140862 (E_RNA) where: Base-Base interactions energy: -115.954 where: short stacking energy: -53.049 Base-Backbone interact. energy: -0.004 local terms energy: -65.182326 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -14.377 flat angles P-C4'-P energy: -9.800 tors. eta vs tors. theta energy: -16.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 414 Temperature: 1.100000 Total energy: -188.917187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.917187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.917187 (E_RNA) where: Base-Base interactions energy: -130.325 where: short stacking energy: -60.043 Base-Backbone interact. energy: -0.002 local terms energy: -58.590067 where: bonds (distance) C4'-P energy: -9.961 bonds (distance) P-C4' energy: -12.432 flat angles C4'-P-C4' energy: -13.590 flat angles P-C4'-P energy: -6.407 tors. eta vs tors. theta energy: -16.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 414 Temperature: 1.150000 Total energy: -172.319857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.319857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.319857 (E_RNA) where: Base-Base interactions energy: -105.317 where: short stacking energy: -42.742 Base-Backbone interact. energy: -0.856 local terms energy: -66.147653 where: bonds (distance) C4'-P energy: -14.710 bonds (distance) P-C4' energy: -14.669 flat angles C4'-P-C4' energy: -14.362 flat angles P-C4'-P energy: -10.202 tors. eta vs tors. theta energy: -12.205 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: 9 ===================================== Write number: 414 Temperature: 1.200000 Total energy: -178.283571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.283571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.283571 (E_RNA) where: Base-Base interactions energy: -115.150 where: short stacking energy: -55.396 Base-Backbone interact. energy: -0.092 local terms energy: -63.040923 where: bonds (distance) C4'-P energy: -11.766 bonds (distance) P-C4' energy: -12.767 flat angles C4'-P-C4' energy: -12.652 flat angles P-C4'-P energy: -12.598 tors. eta vs tors. theta energy: -13.257 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 414 Temperature: 1.250000 Total energy: -174.030738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.030738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.030738 (E_RNA) where: Base-Base interactions energy: -111.427 where: short stacking energy: -54.246 Base-Backbone interact. energy: -0.012 local terms energy: -62.591768 where: bonds (distance) C4'-P energy: -10.343 bonds (distance) P-C4' energy: -14.756 flat angles C4'-P-C4' energy: -12.748 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -14.603 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: 10 ===================================== Write number: 414 Temperature: 1.300000 Total energy: -79.082564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.082564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.082564 (E_RNA) where: Base-Base interactions energy: -33.385 where: short stacking energy: -18.041 Base-Backbone interact. energy: -0.106 local terms energy: -45.591409 where: bonds (distance) C4'-P energy: -12.215 bonds (distance) P-C4' energy: -11.590 flat angles C4'-P-C4' energy: -12.206 flat angles P-C4'-P energy: -7.772 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: 10, replica: 8 ===================================== Write number: 414 Temperature: 1.350000 Total energy: -74.422479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.422479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.422479 (E_RNA) where: Base-Base interactions energy: -24.150 where: short stacking energy: -24.150 Base-Backbone interact. energy: -0.116 local terms energy: -50.156107 where: bonds (distance) C4'-P energy: -14.834 bonds (distance) P-C4' energy: -13.406 flat angles C4'-P-C4' energy: -12.087 flat angles P-C4'-P energy: -4.219 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: 5 ===================================== Write number: 415 Temperature: 0.900000 Total energy: -212.917995 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.917995 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.917995 (E_RNA) where: Base-Base interactions energy: -139.682 where: short stacking energy: -64.522 Base-Backbone interact. energy: -0.090 local terms energy: -73.145055 where: bonds (distance) C4'-P energy: -14.986 bonds (distance) P-C4' energy: -15.731 flat angles C4'-P-C4' energy: -13.574 flat angles P-C4'-P energy: -9.438 tors. eta vs tors. theta energy: -19.417 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 415 Temperature: 0.950000 Total energy: -196.535339 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.535339 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.535339 (E_RNA) where: Base-Base interactions energy: -133.188 where: short stacking energy: -65.565 Base-Backbone interact. energy: -0.018 local terms energy: -63.329186 where: bonds (distance) C4'-P energy: -11.635 bonds (distance) P-C4' energy: -12.493 flat angles C4'-P-C4' energy: -14.082 flat angles P-C4'-P energy: -6.305 tors. eta vs tors. theta energy: -18.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 415 Temperature: 1.000000 Total energy: -206.630406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.630406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.630406 (E_RNA) where: Base-Base interactions energy: -133.977 where: short stacking energy: -64.071 Base-Backbone interact. energy: -0.000 local terms energy: -72.653116 where: bonds (distance) C4'-P energy: -11.601 bonds (distance) P-C4' energy: -15.466 flat angles C4'-P-C4' energy: -13.284 flat angles P-C4'-P energy: -10.687 tors. eta vs tors. theta energy: -21.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 415 Temperature: 1.050000 Total energy: -186.692278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.692278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.692278 (E_RNA) where: Base-Base interactions energy: -125.585 where: short stacking energy: -56.549 Base-Backbone interact. energy: -0.130 local terms energy: -60.976778 where: bonds (distance) C4'-P energy: -11.948 bonds (distance) P-C4' energy: -14.564 flat angles C4'-P-C4' energy: -14.136 flat angles P-C4'-P energy: -7.745 tors. eta vs tors. theta energy: -12.584 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 415 Temperature: 1.100000 Total energy: -177.775052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.775052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.775052 (E_RNA) where: Base-Base interactions energy: -116.215 where: short stacking energy: -48.853 Base-Backbone interact. energy: -0.692 local terms energy: -60.868264 where: bonds (distance) C4'-P energy: -14.524 bonds (distance) P-C4' energy: -13.374 flat angles C4'-P-C4' energy: -14.263 flat angles P-C4'-P energy: -6.427 tors. eta vs tors. theta energy: -12.281 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: 9 ===================================== Write number: 415 Temperature: 1.150000 Total energy: -174.385815 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.385815 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.385815 (E_RNA) where: Base-Base interactions energy: -113.191 where: short stacking energy: -47.064 Base-Backbone interact. energy: -0.027 local terms energy: -61.167328 where: bonds (distance) C4'-P energy: -13.543 bonds (distance) P-C4' energy: -15.153 flat angles C4'-P-C4' energy: -13.483 flat angles P-C4'-P energy: -8.778 tors. eta vs tors. theta energy: -10.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 415 Temperature: 1.200000 Total energy: -169.387403 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.387403 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.387403 (E_RNA) where: Base-Base interactions energy: -103.729 where: short stacking energy: -50.340 Base-Backbone interact. energy: -0.005 local terms energy: -65.653430 where: bonds (distance) C4'-P energy: -10.251 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -11.915 flat angles P-C4'-P energy: -12.832 tors. eta vs tors. theta energy: -14.456 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: 415 Temperature: 1.250000 Total energy: -170.412214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.412214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.412214 (E_RNA) where: Base-Base interactions energy: -113.902 where: short stacking energy: -49.492 Base-Backbone interact. energy: -0.000 local terms energy: -56.510483 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -8.877 flat angles C4'-P-C4' energy: -13.827 flat angles P-C4'-P energy: -7.473 tors. eta vs tors. theta energy: -13.330 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: 10 ===================================== Write number: 415 Temperature: 1.300000 Total energy: -74.863026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.863026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.863026 (E_RNA) where: Base-Base interactions energy: -30.359 where: short stacking energy: -23.287 Base-Backbone interact. energy: -0.136 local terms energy: -44.367995 where: bonds (distance) C4'-P energy: -13.046 bonds (distance) P-C4' energy: -11.759 flat angles C4'-P-C4' energy: -15.021 flat angles P-C4'-P energy: -8.222 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: 10, replica: 8 ===================================== Write number: 415 Temperature: 1.350000 Total energy: -80.803670 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.803670 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.803670 (E_RNA) where: Base-Base interactions energy: -30.942 where: short stacking energy: -29.390 Base-Backbone interact. energy: 0.817 local terms energy: -50.679218 where: bonds (distance) C4'-P energy: -13.468 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -10.770 flat angles P-C4'-P energy: -7.100 tors. eta vs tors. theta energy: -6.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 416 Temperature: 0.900000 Total energy: -209.670166 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.670166 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.670166 (E_RNA) where: Base-Base interactions energy: -139.498 where: short stacking energy: -64.726 Base-Backbone interact. energy: -0.035 local terms energy: -70.136840 where: bonds (distance) C4'-P energy: -12.011 bonds (distance) P-C4' energy: -15.125 flat angles C4'-P-C4' energy: -12.826 flat angles P-C4'-P energy: -10.867 tors. eta vs tors. theta energy: -19.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 416 Temperature: 0.950000 Total energy: -203.587018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.587018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.587018 (E_RNA) where: Base-Base interactions energy: -131.254 where: short stacking energy: -59.475 Base-Backbone interact. energy: -0.076 local terms energy: -72.256997 where: bonds (distance) C4'-P energy: -15.455 bonds (distance) P-C4' energy: -14.537 flat angles C4'-P-C4' energy: -13.713 flat angles P-C4'-P energy: -10.768 tors. eta vs tors. theta energy: -17.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 416 Temperature: 1.000000 Total energy: -199.717581 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.717581 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.717581 (E_RNA) where: Base-Base interactions energy: -129.313 where: short stacking energy: -64.395 Base-Backbone interact. energy: -0.158 local terms energy: -70.246733 where: bonds (distance) C4'-P energy: -10.371 bonds (distance) P-C4' energy: -15.340 flat angles C4'-P-C4' energy: -10.975 flat angles P-C4'-P energy: -12.780 tors. eta vs tors. theta energy: -20.781 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 416 Temperature: 1.050000 Total energy: -193.521288 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.521288 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.521288 (E_RNA) where: Base-Base interactions energy: -128.225 where: short stacking energy: -57.636 Base-Backbone interact. energy: -0.011 local terms energy: -65.285997 where: bonds (distance) C4'-P energy: -13.497 bonds (distance) P-C4' energy: -13.462 flat angles C4'-P-C4' energy: -13.838 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -15.114 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 416 Temperature: 1.100000 Total energy: -198.245912 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.245912 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.245912 (E_RNA) where: Base-Base interactions energy: -125.406 where: short stacking energy: -63.134 Base-Backbone interact. energy: -0.054 local terms energy: -72.785331 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -15.010 flat angles C4'-P-C4' energy: -15.551 flat angles P-C4'-P energy: -10.615 tors. eta vs tors. theta energy: -18.842 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: 416 Temperature: 1.150000 Total energy: -195.438610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.438610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.438610 (E_RNA) where: Base-Base interactions energy: -129.599 where: short stacking energy: -53.327 Base-Backbone interact. energy: -0.049 local terms energy: -65.791168 where: bonds (distance) C4'-P energy: -14.321 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -14.966 flat angles P-C4'-P energy: -5.697 tors. eta vs tors. theta energy: -15.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 416 Temperature: 1.200000 Total energy: -173.550746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.550746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.550746 (E_RNA) where: Base-Base interactions energy: -114.600 where: short stacking energy: -54.737 Base-Backbone interact. energy: -0.342 local terms energy: -58.609502 where: bonds (distance) C4'-P energy: -13.583 bonds (distance) P-C4' energy: -12.319 flat angles C4'-P-C4' energy: -10.903 flat angles P-C4'-P energy: -9.550 tors. eta vs tors. theta energy: -12.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 416 Temperature: 1.250000 Total energy: -172.157352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.157352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.157352 (E_RNA) where: Base-Base interactions energy: -118.594 where: short stacking energy: -41.523 Base-Backbone interact. energy: 0.845 local terms energy: -54.408948 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -12.869 flat angles C4'-P-C4' energy: -14.036 flat angles P-C4'-P energy: -6.598 tors. eta vs tors. theta energy: -6.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 416 Temperature: 1.300000 Total energy: -74.486891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.486891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.486891 (E_RNA) where: Base-Base interactions energy: -23.233 where: short stacking energy: -23.233 Base-Backbone interact. energy: -0.080 local terms energy: -51.172990 where: bonds (distance) C4'-P energy: -12.573 bonds (distance) P-C4' energy: -13.846 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -8.268 tors. eta vs tors. theta energy: -3.200 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 416 Temperature: 1.350000 Total energy: -82.253432 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.253432 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.253432 (E_RNA) where: Base-Base interactions energy: -30.763 where: short stacking energy: -30.763 Base-Backbone interact. energy: -0.006 local terms energy: -51.485310 where: bonds (distance) C4'-P energy: -12.222 bonds (distance) P-C4' energy: -14.725 flat angles C4'-P-C4' energy: -13.379 flat angles P-C4'-P energy: -6.675 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: 1, replica: 5 ===================================== Write number: 417 Temperature: 0.900000 Total energy: -207.737505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.737505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.737505 (E_RNA) where: Base-Base interactions energy: -141.178 where: short stacking energy: -63.767 Base-Backbone interact. energy: -0.100 local terms energy: -66.459617 where: bonds (distance) C4'-P energy: -14.281 bonds (distance) P-C4' energy: -12.754 flat angles C4'-P-C4' energy: -13.115 flat angles P-C4'-P energy: -11.631 tors. eta vs tors. theta energy: -14.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 417 Temperature: 0.950000 Total energy: -212.424274 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.424274 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.424274 (E_RNA) where: Base-Base interactions energy: -141.845 where: short stacking energy: -65.759 Base-Backbone interact. energy: -0.005 local terms energy: -70.574152 where: bonds (distance) C4'-P energy: -14.620 bonds (distance) P-C4' energy: -13.334 flat angles C4'-P-C4' energy: -12.306 flat angles P-C4'-P energy: -11.165 tors. eta vs tors. theta energy: -19.150 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 417 Temperature: 1.000000 Total energy: -192.452772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.452772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.452772 (E_RNA) where: Base-Base interactions energy: -127.755 where: short stacking energy: -53.304 Base-Backbone interact. energy: -0.243 local terms energy: -64.454456 where: bonds (distance) C4'-P energy: -11.530 bonds (distance) P-C4' energy: -16.175 flat angles C4'-P-C4' energy: -11.567 flat angles P-C4'-P energy: -9.771 tors. eta vs tors. theta energy: -15.411 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: 9 ===================================== Write number: 417 Temperature: 1.050000 Total energy: -195.707565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.707565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.707565 (E_RNA) where: Base-Base interactions energy: -137.019 where: short stacking energy: -54.629 Base-Backbone interact. energy: -0.045 local terms energy: -58.644222 where: bonds (distance) C4'-P energy: -12.793 bonds (distance) P-C4' energy: -10.598 flat angles C4'-P-C4' energy: -13.011 flat angles P-C4'-P energy: -8.313 tors. eta vs tors. theta energy: -13.929 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 417 Temperature: 1.100000 Total energy: -183.977127 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.977127 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.977127 (E_RNA) where: Base-Base interactions energy: -122.734 where: short stacking energy: -59.870 Base-Backbone interact. energy: 0.041 local terms energy: -61.284181 where: bonds (distance) C4'-P energy: -12.454 bonds (distance) P-C4' energy: -11.141 flat angles C4'-P-C4' energy: -14.450 flat angles P-C4'-P energy: -8.981 tors. eta vs tors. theta energy: -14.258 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 417 Temperature: 1.150000 Total energy: -172.964585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.964585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.964585 (E_RNA) where: Base-Base interactions energy: -115.818 where: short stacking energy: -52.741 Base-Backbone interact. energy: -0.190 local terms energy: -56.956842 where: bonds (distance) C4'-P energy: -12.192 bonds (distance) P-C4' energy: -13.087 flat angles C4'-P-C4' energy: -14.556 flat angles P-C4'-P energy: -6.240 tors. eta vs tors. theta energy: -10.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 417 Temperature: 1.200000 Total energy: -172.914363 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.914363 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.914363 (E_RNA) where: Base-Base interactions energy: -110.996 where: short stacking energy: -50.270 Base-Backbone interact. energy: -0.124 local terms energy: -61.794511 where: bonds (distance) C4'-P energy: -11.345 bonds (distance) P-C4' energy: -16.607 flat angles C4'-P-C4' energy: -12.129 flat angles P-C4'-P energy: -6.969 tors. eta vs tors. theta energy: -14.745 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 417 Temperature: 1.250000 Total energy: -175.967797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.967797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.967797 (E_RNA) where: Base-Base interactions energy: -119.687 where: short stacking energy: -52.496 Base-Backbone interact. energy: -0.119 local terms energy: -56.162140 where: bonds (distance) C4'-P energy: -10.590 bonds (distance) P-C4' energy: -15.090 flat angles C4'-P-C4' energy: -13.103 flat angles P-C4'-P energy: -5.215 tors. eta vs tors. theta energy: -12.164 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: 8 ===================================== Write number: 417 Temperature: 1.300000 Total energy: -75.954396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.954396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.954396 (E_RNA) where: Base-Base interactions energy: -23.073 where: short stacking energy: -23.073 Base-Backbone interact. energy: -0.053 local terms energy: -52.828762 where: bonds (distance) C4'-P energy: -12.976 bonds (distance) P-C4' energy: -12.321 flat angles C4'-P-C4' energy: -13.388 flat angles P-C4'-P energy: -7.652 tors. eta vs tors. theta energy: -6.493 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 417 Temperature: 1.350000 Total energy: -75.694574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.694574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.694574 (E_RNA) where: Base-Base interactions energy: -26.685 where: short stacking energy: -22.915 Base-Backbone interact. energy: -0.424 local terms energy: -48.585816 where: bonds (distance) C4'-P energy: -13.292 bonds (distance) P-C4' energy: -12.187 flat angles C4'-P-C4' energy: -11.015 flat angles P-C4'-P energy: -7.616 tors. eta vs tors. theta energy: -4.475 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 418 Temperature: 0.900000 Total energy: -210.529023 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.529023 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.529023 (E_RNA) where: Base-Base interactions energy: -139.901 where: short stacking energy: -68.119 Base-Backbone interact. energy: -0.622 local terms energy: -70.006011 where: bonds (distance) C4'-P energy: -13.671 bonds (distance) P-C4' energy: -11.744 flat angles C4'-P-C4' energy: -13.723 flat angles P-C4'-P energy: -10.908 tors. eta vs tors. theta energy: -19.961 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: 5 ===================================== Write number: 418 Temperature: 0.950000 Total energy: -217.150055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -217.150055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -217.150055 (E_RNA) where: Base-Base interactions energy: -138.601 where: short stacking energy: -66.748 Base-Backbone interact. energy: -0.000 local terms energy: -78.548964 where: bonds (distance) C4'-P energy: -15.302 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -17.332 flat angles P-C4'-P energy: -12.601 tors. eta vs tors. theta energy: -18.735 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: 6 ===================================== Write number: 418 Temperature: 1.000000 Total energy: -197.258470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.258470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.258470 (E_RNA) where: Base-Base interactions energy: -131.113 where: short stacking energy: -56.092 Base-Backbone interact. energy: -0.067 local terms energy: -66.077889 where: bonds (distance) C4'-P energy: -14.097 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -12.060 flat angles P-C4'-P energy: -10.597 tors. eta vs tors. theta energy: -16.046 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 418 Temperature: 1.050000 Total energy: -204.974697 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.974697 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.974697 (E_RNA) where: Base-Base interactions energy: -132.161 where: short stacking energy: -56.979 Base-Backbone interact. energy: 0.258 local terms energy: -73.071408 where: bonds (distance) C4'-P energy: -14.328 bonds (distance) P-C4' energy: -15.076 flat angles C4'-P-C4' energy: -16.102 flat angles P-C4'-P energy: -10.598 tors. eta vs tors. theta energy: -16.968 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: 4 ===================================== Write number: 418 Temperature: 1.100000 Total energy: -183.566999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.566999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.566999 (E_RNA) where: Base-Base interactions energy: -122.058 where: short stacking energy: -55.207 Base-Backbone interact. energy: -0.009 local terms energy: -61.499459 where: bonds (distance) C4'-P energy: -12.518 bonds (distance) P-C4' energy: -16.401 flat angles C4'-P-C4' energy: -8.147 flat angles P-C4'-P energy: -7.036 tors. eta vs tors. theta energy: -17.398 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 418 Temperature: 1.150000 Total energy: -186.500193 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.500193 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.500193 (E_RNA) where: Base-Base interactions energy: -118.608 where: short stacking energy: -53.345 Base-Backbone interact. energy: -0.587 local terms energy: -67.305128 where: bonds (distance) C4'-P energy: -12.135 bonds (distance) P-C4' energy: -13.934 flat angles C4'-P-C4' energy: -13.558 flat angles P-C4'-P energy: -10.530 tors. eta vs tors. theta energy: -17.148 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 418 Temperature: 1.200000 Total energy: -191.558776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.558776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.558776 (E_RNA) where: Base-Base interactions energy: -128.878 where: short stacking energy: -58.372 Base-Backbone interact. energy: -0.000 local terms energy: -62.680646 where: bonds (distance) C4'-P energy: -12.864 bonds (distance) P-C4' energy: -13.885 flat angles C4'-P-C4' energy: -15.365 flat angles P-C4'-P energy: -1.816 tors. eta vs tors. theta energy: -18.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 418 Temperature: 1.250000 Total energy: -172.877453 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.877453 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.877453 (E_RNA) where: Base-Base interactions energy: -119.327 where: short stacking energy: -49.907 Base-Backbone interact. energy: 0.426 local terms energy: -53.976771 where: bonds (distance) C4'-P energy: -9.605 bonds (distance) P-C4' energy: -13.547 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -8.034 tors. eta vs tors. theta energy: -11.572 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: 10 ===================================== Write number: 418 Temperature: 1.300000 Total energy: -73.477296 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.477296 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.477296 (E_RNA) where: Base-Base interactions energy: -27.485 where: short stacking energy: -27.685 Base-Backbone interact. energy: -0.095 local terms energy: -45.897587 where: bonds (distance) C4'-P energy: -9.109 bonds (distance) P-C4' energy: -10.046 flat angles C4'-P-C4' energy: -11.065 flat angles P-C4'-P energy: -8.333 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: 10, replica: 8 ===================================== Write number: 418 Temperature: 1.350000 Total energy: -71.972812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.972812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.972812 (E_RNA) where: Base-Base interactions energy: -28.314 where: short stacking energy: -28.314 Base-Backbone interact. energy: -0.026 local terms energy: -43.633139 where: bonds (distance) C4'-P energy: -8.943 bonds (distance) P-C4' energy: -13.280 flat angles C4'-P-C4' energy: -8.824 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -4.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 419 Temperature: 0.900000 Total energy: -213.370800 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.370800 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.370800 (E_RNA) where: Base-Base interactions energy: -142.546 where: short stacking energy: -66.793 Base-Backbone interact. energy: -0.039 local terms energy: -70.785958 where: bonds (distance) C4'-P energy: -13.873 bonds (distance) P-C4' energy: -14.432 flat angles C4'-P-C4' energy: -11.849 flat angles P-C4'-P energy: -11.811 tors. eta vs tors. theta energy: -18.822 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: 6 ===================================== Write number: 419 Temperature: 0.950000 Total energy: -197.706886 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.706886 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.706886 (E_RNA) where: Base-Base interactions energy: -126.559 where: short stacking energy: -56.891 Base-Backbone interact. energy: -0.332 local terms energy: -70.815907 where: bonds (distance) C4'-P energy: -15.927 bonds (distance) P-C4' energy: -14.623 flat angles C4'-P-C4' energy: -13.123 flat angles P-C4'-P energy: -11.431 tors. eta vs tors. theta energy: -15.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 419 Temperature: 1.000000 Total energy: -201.444591 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.444591 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.444591 (E_RNA) where: Base-Base interactions energy: -138.915 where: short stacking energy: -66.903 Base-Backbone interact. energy: -0.002 local terms energy: -62.527161 where: bonds (distance) C4'-P energy: -6.294 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -14.220 flat angles P-C4'-P energy: -9.063 tors. eta vs tors. theta energy: -17.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 419 Temperature: 1.050000 Total energy: -192.671976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.671976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.671976 (E_RNA) where: Base-Base interactions energy: -132.225 where: short stacking energy: -57.707 Base-Backbone interact. energy: -0.858 local terms energy: -59.589048 where: bonds (distance) C4'-P energy: -5.748 bonds (distance) P-C4' energy: -13.377 flat angles C4'-P-C4' energy: -15.320 flat angles P-C4'-P energy: -12.125 tors. eta vs tors. theta energy: -13.019 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 419 Temperature: 1.100000 Total energy: -190.305145 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.305145 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.305145 (E_RNA) where: Base-Base interactions energy: -129.189 where: short stacking energy: -64.751 Base-Backbone interact. energy: -0.004 local terms energy: -61.112769 where: bonds (distance) C4'-P energy: -9.452 bonds (distance) P-C4' energy: -11.046 flat angles C4'-P-C4' energy: -15.260 flat angles P-C4'-P energy: -8.050 tors. eta vs tors. theta energy: -17.305 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: 3 ===================================== Write number: 419 Temperature: 1.150000 Total energy: -175.518765 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.518765 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.518765 (E_RNA) where: Base-Base interactions energy: -113.761 where: short stacking energy: -47.425 Base-Backbone interact. energy: -0.122 local terms energy: -61.635782 where: bonds (distance) C4'-P energy: -11.656 bonds (distance) P-C4' energy: -14.896 flat angles C4'-P-C4' energy: -11.173 flat angles P-C4'-P energy: -10.978 tors. eta vs tors. theta energy: -12.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 419 Temperature: 1.200000 Total energy: -185.978308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.978308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.978308 (E_RNA) where: Base-Base interactions energy: -120.631 where: short stacking energy: -54.963 Base-Backbone interact. energy: -1.265 local terms energy: -64.082734 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -12.300 flat angles C4'-P-C4' energy: -14.501 flat angles P-C4'-P energy: -6.780 tors. eta vs tors. theta energy: -15.581 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 419 Temperature: 1.250000 Total energy: -172.342963 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.342963 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.342963 (E_RNA) where: Base-Base interactions energy: -119.082 where: short stacking energy: -49.370 Base-Backbone interact. energy: -0.074 local terms energy: -53.186876 where: bonds (distance) C4'-P energy: -8.132 bonds (distance) P-C4' energy: -12.687 flat angles C4'-P-C4' energy: -11.987 flat angles P-C4'-P energy: -6.972 tors. eta vs tors. theta energy: -13.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 419 Temperature: 1.300000 Total energy: -71.736264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.736264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.736264 (E_RNA) where: Base-Base interactions energy: -30.551 where: short stacking energy: -29.749 Base-Backbone interact. energy: -0.165 local terms energy: -41.020048 where: bonds (distance) C4'-P energy: -10.234 bonds (distance) P-C4' energy: -11.422 flat angles C4'-P-C4' energy: -12.600 flat angles P-C4'-P energy: -6.425 tors. eta vs tors. theta energy: -0.338 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 419 Temperature: 1.350000 Total energy: -71.371625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.371625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.371625 (E_RNA) where: Base-Base interactions energy: -21.429 where: short stacking energy: -19.360 Base-Backbone interact. energy: -0.103 local terms energy: -49.840153 where: bonds (distance) C4'-P energy: -12.314 bonds (distance) P-C4' energy: -15.424 flat angles C4'-P-C4' energy: -11.522 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -6.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 420 Temperature: 0.900000 Total energy: -206.936989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.936989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.936989 (E_RNA) where: Base-Base interactions energy: -141.057 where: short stacking energy: -63.039 Base-Backbone interact. energy: -0.278 local terms energy: -65.601120 where: bonds (distance) C4'-P energy: -14.460 bonds (distance) P-C4' energy: -11.719 flat angles C4'-P-C4' energy: -12.528 flat angles P-C4'-P energy: -9.497 tors. eta vs tors. theta energy: -17.397 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: 2 ===================================== Write number: 420 Temperature: 0.950000 Total energy: -206.446620 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.446620 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.446620 (E_RNA) where: Base-Base interactions energy: -132.884 where: short stacking energy: -59.034 Base-Backbone interact. energy: -0.075 local terms energy: -73.487074 where: bonds (distance) C4'-P energy: -15.269 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -14.650 flat angles P-C4'-P energy: -12.754 tors. eta vs tors. theta energy: -19.130 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 420 Temperature: 1.000000 Total energy: -196.551011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.551011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.551011 (E_RNA) where: Base-Base interactions energy: -126.439 where: short stacking energy: -57.817 Base-Backbone interact. energy: -1.078 local terms energy: -69.034132 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -15.124 flat angles C4'-P-C4' energy: -14.207 flat angles P-C4'-P energy: -10.264 tors. eta vs tors. theta energy: -14.829 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 420 Temperature: 1.050000 Total energy: -204.414956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.414956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.414956 (E_RNA) where: Base-Base interactions energy: -137.744 where: short stacking energy: -62.979 Base-Backbone interact. energy: -0.012 local terms energy: -66.659038 where: bonds (distance) C4'-P energy: -9.062 bonds (distance) P-C4' energy: -14.248 flat angles C4'-P-C4' energy: -15.573 flat angles P-C4'-P energy: -12.014 tors. eta vs tors. theta energy: -15.761 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 420 Temperature: 1.100000 Total energy: -174.291564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.291564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.291564 (E_RNA) where: Base-Base interactions energy: -110.766 where: short stacking energy: -49.249 Base-Backbone interact. energy: -0.257 local terms energy: -63.267978 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -13.858 flat angles C4'-P-C4' energy: -15.455 flat angles P-C4'-P energy: -8.648 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: 6, replica: 9 ===================================== Write number: 420 Temperature: 1.150000 Total energy: -195.080028 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.080028 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.080028 (E_RNA) where: Base-Base interactions energy: -125.678 where: short stacking energy: -58.072 Base-Backbone interact. energy: -0.000 local terms energy: -69.401949 where: bonds (distance) C4'-P energy: -15.000 bonds (distance) P-C4' energy: -15.705 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -7.389 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 420 Temperature: 1.200000 Total energy: -180.242562 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.242562 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.242562 (E_RNA) where: Base-Base interactions energy: -122.286 where: short stacking energy: -56.285 Base-Backbone interact. energy: -0.012 local terms energy: -57.945189 where: bonds (distance) C4'-P energy: -8.743 bonds (distance) P-C4' energy: -9.273 flat angles C4'-P-C4' energy: -11.181 flat angles P-C4'-P energy: -12.890 tors. eta vs tors. theta energy: -15.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 420 Temperature: 1.250000 Total energy: -167.118590 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.118590 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.118590 (E_RNA) where: Base-Base interactions energy: -111.455 where: short stacking energy: -47.668 Base-Backbone interact. energy: -0.145 local terms energy: -55.518161 where: bonds (distance) C4'-P energy: -11.713 bonds (distance) P-C4' energy: -14.440 flat angles C4'-P-C4' energy: -11.467 flat angles P-C4'-P energy: -7.246 tors. eta vs tors. theta energy: -10.652 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: 8 ===================================== Write number: 420 Temperature: 1.300000 Total energy: -83.987534 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.987534 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.987534 (E_RNA) where: Base-Base interactions energy: -34.864 where: short stacking energy: -34.864 Base-Backbone interact. energy: -0.047 local terms energy: -49.075805 where: bonds (distance) C4'-P energy: -12.159 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -7.864 flat angles P-C4'-P energy: -7.103 tors. eta vs tors. theta energy: -9.088 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 420 Temperature: 1.350000 Total energy: -70.525063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.525063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.525063 (E_RNA) where: Base-Base interactions energy: -21.997 where: short stacking energy: -20.449 Base-Backbone interact. energy: -0.652 local terms energy: -47.876960 where: bonds (distance) C4'-P energy: -13.297 bonds (distance) P-C4' energy: -12.141 flat angles C4'-P-C4' energy: -11.652 flat angles P-C4'-P energy: -6.987 tors. eta vs tors. theta energy: -3.799 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 421 Temperature: 0.900000 Total energy: -207.085283 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.085283 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.085283 (E_RNA) where: Base-Base interactions energy: -135.541 where: short stacking energy: -60.302 Base-Backbone interact. energy: -0.006 local terms energy: -71.538557 where: bonds (distance) C4'-P energy: -13.934 bonds (distance) P-C4' energy: -12.886 flat angles C4'-P-C4' energy: -16.426 flat angles P-C4'-P energy: -10.289 tors. eta vs tors. theta energy: -18.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 421 Temperature: 0.950000 Total energy: -206.162568 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.162568 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.162568 (E_RNA) where: Base-Base interactions energy: -141.166 where: short stacking energy: -61.724 Base-Backbone interact. energy: -0.195 local terms energy: -64.802167 where: bonds (distance) C4'-P energy: -14.825 bonds (distance) P-C4' energy: -10.241 flat angles C4'-P-C4' energy: -14.592 flat angles P-C4'-P energy: -8.510 tors. eta vs tors. theta energy: -16.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 421 Temperature: 1.000000 Total energy: -200.409103 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.409103 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.409103 (E_RNA) where: Base-Base interactions energy: -139.285 where: short stacking energy: -60.718 Base-Backbone interact. energy: -0.002 local terms energy: -61.122836 where: bonds (distance) C4'-P energy: -6.728 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -11.695 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -18.728 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 421 Temperature: 1.050000 Total energy: -177.776674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.776674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.776674 (E_RNA) where: Base-Base interactions energy: -121.811 where: short stacking energy: -53.100 Base-Backbone interact. energy: 0.502 local terms energy: -56.467054 where: bonds (distance) C4'-P energy: -11.020 bonds (distance) P-C4' energy: -16.199 flat angles C4'-P-C4' energy: -9.610 flat angles P-C4'-P energy: -9.573 tors. eta vs tors. theta energy: -10.065 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 421 Temperature: 1.100000 Total energy: -201.323871 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.323871 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.323871 (E_RNA) where: Base-Base interactions energy: -140.905 where: short stacking energy: -62.550 Base-Backbone interact. energy: -0.003 local terms energy: -60.415874 where: bonds (distance) C4'-P energy: -11.435 bonds (distance) P-C4' energy: -13.448 flat angles C4'-P-C4' energy: -8.869 flat angles P-C4'-P energy: -7.539 tors. eta vs tors. theta energy: -19.124 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: 7 ===================================== Write number: 421 Temperature: 1.150000 Total energy: -185.304229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.304229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.304229 (E_RNA) where: Base-Base interactions energy: -118.352 where: short stacking energy: -60.032 Base-Backbone interact. energy: -0.071 local terms energy: -66.881732 where: bonds (distance) C4'-P energy: -10.226 bonds (distance) P-C4' energy: -15.576 flat angles C4'-P-C4' energy: -14.313 flat angles P-C4'-P energy: -11.000 tors. eta vs tors. theta energy: -15.767 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 421 Temperature: 1.200000 Total energy: -168.513470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.513470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.513470 (E_RNA) where: Base-Base interactions energy: -107.115 where: short stacking energy: -39.801 Base-Backbone interact. energy: -0.017 local terms energy: -61.381776 where: bonds (distance) C4'-P energy: -11.709 bonds (distance) P-C4' energy: -13.592 flat angles C4'-P-C4' energy: -12.682 flat angles P-C4'-P energy: -9.172 tors. eta vs tors. theta energy: -14.226 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: 8, replica: 1 ===================================== Write number: 421 Temperature: 1.250000 Total energy: -169.075498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.075498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.075498 (E_RNA) where: Base-Base interactions energy: -111.771 where: short stacking energy: -43.843 Base-Backbone interact. energy: 1.714 local terms energy: -59.018979 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -11.177 flat angles C4'-P-C4' energy: -15.312 flat angles P-C4'-P energy: -10.847 tors. eta vs tors. theta energy: -6.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 421 Temperature: 1.300000 Total energy: -78.869012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.869012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.869012 (E_RNA) where: Base-Base interactions energy: -34.760 where: short stacking energy: -30.901 Base-Backbone interact. energy: -0.076 local terms energy: -44.033378 where: bonds (distance) C4'-P energy: -10.897 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -10.816 flat angles P-C4'-P energy: -5.083 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: 10, replica: 10 ===================================== Write number: 421 Temperature: 1.350000 Total energy: -82.363300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.363300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.363300 (E_RNA) where: Base-Base interactions energy: -34.510 where: short stacking energy: -26.348 Base-Backbone interact. energy: -0.071 local terms energy: -47.781835 where: bonds (distance) C4'-P energy: -14.229 bonds (distance) P-C4' energy: -13.994 flat angles C4'-P-C4' energy: -8.373 flat angles P-C4'-P energy: -8.281 tors. eta vs tors. theta energy: -2.905 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 6 ===================================== Write number: 422 Temperature: 0.900000 Total energy: -205.557045 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.557045 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.557045 (E_RNA) where: Base-Base interactions energy: -139.225 where: short stacking energy: -62.049 Base-Backbone interact. energy: -0.164 local terms energy: -66.167414 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -13.631 flat angles P-C4'-P energy: -8.733 tors. eta vs tors. theta energy: -19.447 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 422 Temperature: 0.950000 Total energy: -211.218594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.218594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.218594 (E_RNA) where: Base-Base interactions energy: -138.427 where: short stacking energy: -70.585 Base-Backbone interact. energy: -0.007 local terms energy: -72.783826 where: bonds (distance) C4'-P energy: -14.826 bonds (distance) P-C4' energy: -14.811 flat angles C4'-P-C4' energy: -15.279 flat angles P-C4'-P energy: -10.096 tors. eta vs tors. theta energy: -17.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 422 Temperature: 1.000000 Total energy: -194.872882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.872882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.872882 (E_RNA) where: Base-Base interactions energy: -131.927 where: short stacking energy: -58.473 Base-Backbone interact. energy: -1.430 local terms energy: -61.516172 where: bonds (distance) C4'-P energy: -13.414 bonds (distance) P-C4' energy: -12.629 flat angles C4'-P-C4' energy: -13.044 flat angles P-C4'-P energy: -9.915 tors. eta vs tors. theta energy: -12.514 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 422 Temperature: 1.050000 Total energy: -193.966686 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.966686 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.966686 (E_RNA) where: Base-Base interactions energy: -122.602 where: short stacking energy: -59.180 Base-Backbone interact. energy: -0.003 local terms energy: -71.361077 where: bonds (distance) C4'-P energy: -16.224 bonds (distance) P-C4' energy: -12.884 flat angles C4'-P-C4' energy: -15.385 flat angles P-C4'-P energy: -9.364 tors. eta vs tors. theta energy: -17.504 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 422 Temperature: 1.100000 Total energy: -186.627417 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.627417 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.627417 (E_RNA) where: Base-Base interactions energy: -119.449 where: short stacking energy: -48.802 Base-Backbone interact. energy: -0.007 local terms energy: -67.171594 where: bonds (distance) C4'-P energy: -13.982 bonds (distance) P-C4' energy: -15.301 flat angles C4'-P-C4' energy: -15.374 flat angles P-C4'-P energy: -11.107 tors. eta vs tors. theta energy: -11.407 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: 6, replica: 5 ===================================== Write number: 422 Temperature: 1.150000 Total energy: -183.136179 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.136179 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.136179 (E_RNA) where: Base-Base interactions energy: -118.430 where: short stacking energy: -54.566 Base-Backbone interact. energy: -0.075 local terms energy: -64.631536 where: bonds (distance) C4'-P energy: -11.149 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -16.406 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -11.761 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: 9 ===================================== Write number: 422 Temperature: 1.200000 Total energy: -179.735507 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.735507 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.735507 (E_RNA) where: Base-Base interactions energy: -114.669 where: short stacking energy: -55.835 Base-Backbone interact. energy: -0.095 local terms energy: -64.971475 where: bonds (distance) C4'-P energy: -9.250 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -15.461 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -14.247 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: 8, replica: 1 ===================================== Write number: 422 Temperature: 1.250000 Total energy: -171.712229 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.712229 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.712229 (E_RNA) where: Base-Base interactions energy: -118.924 where: short stacking energy: -57.666 Base-Backbone interact. energy: -0.167 local terms energy: -52.620599 where: bonds (distance) C4'-P energy: -10.834 bonds (distance) P-C4' energy: -14.085 flat angles C4'-P-C4' energy: -10.502 flat angles P-C4'-P energy: -3.903 tors. eta vs tors. theta energy: -13.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 422 Temperature: 1.300000 Total energy: -76.685317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.685317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.685317 (E_RNA) where: Base-Base interactions energy: -25.281 where: short stacking energy: -22.730 Base-Backbone interact. energy: -0.128 local terms energy: -51.275950 where: bonds (distance) C4'-P energy: -12.822 bonds (distance) P-C4' energy: -13.817 flat angles C4'-P-C4' energy: -12.243 flat angles P-C4'-P energy: -8.737 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: 8 ===================================== Write number: 422 Temperature: 1.350000 Total energy: -66.615872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.615872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.615872 (E_RNA) where: Base-Base interactions energy: -26.382 where: short stacking energy: -22.780 Base-Backbone interact. energy: 0.925 local terms energy: -41.158862 where: bonds (distance) C4'-P energy: -10.622 bonds (distance) P-C4' energy: -14.650 flat angles C4'-P-C4' energy: -12.616 flat angles P-C4'-P energy: -4.452 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: 1, replica: 6 ===================================== Write number: 423 Temperature: 0.900000 Total energy: -204.473941 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.473941 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.473941 (E_RNA) where: Base-Base interactions energy: -139.037 where: short stacking energy: -62.744 Base-Backbone interact. energy: -0.339 local terms energy: -65.098246 where: bonds (distance) C4'-P energy: -6.682 bonds (distance) P-C4' energy: -14.826 flat angles C4'-P-C4' energy: -14.538 flat angles P-C4'-P energy: -11.798 tors. eta vs tors. theta energy: -17.255 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 423 Temperature: 0.950000 Total energy: -205.431357 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.431357 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.431357 (E_RNA) where: Base-Base interactions energy: -130.456 where: short stacking energy: -64.131 Base-Backbone interact. energy: 0.766 local terms energy: -75.741304 where: bonds (distance) C4'-P energy: -14.681 bonds (distance) P-C4' energy: -16.868 flat angles C4'-P-C4' energy: -14.004 flat angles P-C4'-P energy: -11.297 tors. eta vs tors. theta energy: -18.891 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 423 Temperature: 1.000000 Total energy: -192.347667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.347667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.347667 (E_RNA) where: Base-Base interactions energy: -128.439 where: short stacking energy: -53.033 Base-Backbone interact. energy: 0.752 local terms energy: -64.661534 where: bonds (distance) C4'-P energy: -14.984 bonds (distance) P-C4' energy: -12.583 flat angles C4'-P-C4' energy: -12.849 flat angles P-C4'-P energy: -9.414 tors. eta vs tors. theta energy: -14.832 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: 4, replica: 2 ===================================== Write number: 423 Temperature: 1.050000 Total energy: -194.618774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.618774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.618774 (E_RNA) where: Base-Base interactions energy: -135.432 where: short stacking energy: -53.800 Base-Backbone interact. energy: -0.169 local terms energy: -59.017865 where: bonds (distance) C4'-P energy: -11.320 bonds (distance) P-C4' energy: -11.831 flat angles C4'-P-C4' energy: -14.742 flat angles P-C4'-P energy: -8.739 tors. eta vs tors. theta energy: -12.385 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: 7 ===================================== Write number: 423 Temperature: 1.100000 Total energy: -199.055827 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.055827 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.055827 (E_RNA) where: Base-Base interactions energy: -132.691 where: short stacking energy: -68.043 Base-Backbone interact. energy: -0.160 local terms energy: -66.204326 where: bonds (distance) C4'-P energy: -12.589 bonds (distance) P-C4' energy: -12.928 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -11.350 tors. eta vs tors. theta energy: -15.814 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: 5 ===================================== Write number: 423 Temperature: 1.150000 Total energy: -179.661081 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.661081 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.661081 (E_RNA) where: Base-Base interactions energy: -113.444 where: short stacking energy: -51.950 Base-Backbone interact. energy: 0.331 local terms energy: -66.547810 where: bonds (distance) C4'-P energy: -14.487 bonds (distance) P-C4' energy: -13.226 flat angles C4'-P-C4' energy: -14.756 flat angles P-C4'-P energy: -8.379 tors. eta vs tors. theta energy: -15.699 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 423 Temperature: 1.200000 Total energy: -170.771312 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.771312 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.771312 (E_RNA) where: Base-Base interactions energy: -109.849 where: short stacking energy: -51.782 Base-Backbone interact. energy: -0.682 local terms energy: -60.240166 where: bonds (distance) C4'-P energy: -13.918 bonds (distance) P-C4' energy: -10.734 flat angles C4'-P-C4' energy: -14.072 flat angles P-C4'-P energy: -7.999 tors. eta vs tors. theta energy: -13.517 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: 1 ===================================== Write number: 423 Temperature: 1.250000 Total energy: -184.864430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.864430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.864430 (E_RNA) where: Base-Base interactions energy: -124.715 where: short stacking energy: -58.403 Base-Backbone interact. energy: -0.056 local terms energy: -60.093015 where: bonds (distance) C4'-P energy: -10.615 bonds (distance) P-C4' energy: -6.963 flat angles C4'-P-C4' energy: -14.384 flat angles P-C4'-P energy: -9.972 tors. eta vs tors. theta energy: -18.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 423 Temperature: 1.300000 Total energy: -74.879224 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.879224 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.879224 (E_RNA) where: Base-Base interactions energy: -26.668 where: short stacking energy: -26.668 Base-Backbone interact. energy: -0.725 local terms energy: -47.486319 where: bonds (distance) C4'-P energy: -11.085 bonds (distance) P-C4' energy: -14.320 flat angles C4'-P-C4' energy: -11.516 flat angles P-C4'-P energy: -4.880 tors. eta vs tors. theta energy: -5.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 423 Temperature: 1.350000 Total energy: -75.292704 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.292704 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.292704 (E_RNA) where: Base-Base interactions energy: -25.697 where: short stacking energy: -13.276 Base-Backbone interact. energy: -0.059 local terms energy: -49.535807 where: bonds (distance) C4'-P energy: -14.838 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -12.512 flat angles P-C4'-P energy: -7.358 tors. eta vs tors. theta energy: 0.537 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: 6 ===================================== Write number: 424 Temperature: 0.900000 Total energy: -207.849925 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.849925 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.849925 (E_RNA) where: Base-Base interactions energy: -135.358 where: short stacking energy: -56.252 Base-Backbone interact. energy: -0.101 local terms energy: -72.390593 where: bonds (distance) C4'-P energy: -14.933 bonds (distance) P-C4' energy: -17.116 flat angles C4'-P-C4' energy: -13.562 flat angles P-C4'-P energy: -11.141 tors. eta vs tors. theta energy: -15.639 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: 4 ===================================== Write number: 424 Temperature: 0.950000 Total energy: -198.799945 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.799945 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.799945 (E_RNA) where: Base-Base interactions energy: -129.757 where: short stacking energy: -58.610 Base-Backbone interact. energy: -0.617 local terms energy: -68.425576 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -15.385 flat angles C4'-P-C4' energy: -13.128 flat angles P-C4'-P energy: -10.844 tors. eta vs tors. theta energy: -16.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 424 Temperature: 1.000000 Total energy: -196.138259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.138259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.138259 (E_RNA) where: Base-Base interactions energy: -131.699 where: short stacking energy: -54.026 Base-Backbone interact. energy: -0.100 local terms energy: -64.339690 where: bonds (distance) C4'-P energy: -10.432 bonds (distance) P-C4' energy: -15.902 flat angles C4'-P-C4' energy: -13.343 flat angles P-C4'-P energy: -10.155 tors. eta vs tors. theta energy: -14.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 424 Temperature: 1.050000 Total energy: -183.624040 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.624040 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.624040 (E_RNA) where: Base-Base interactions energy: -120.226 where: short stacking energy: -50.111 Base-Backbone interact. energy: -1.199 local terms energy: -62.198284 where: bonds (distance) C4'-P energy: -8.341 bonds (distance) P-C4' energy: -14.807 flat angles C4'-P-C4' energy: -12.578 flat angles P-C4'-P energy: -12.681 tors. eta vs tors. theta energy: -13.791 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 424 Temperature: 1.100000 Total energy: -190.837526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.837526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.837526 (E_RNA) where: Base-Base interactions energy: -130.457 where: short stacking energy: -57.529 Base-Backbone interact. energy: -0.096 local terms energy: -60.284742 where: bonds (distance) C4'-P energy: -13.256 bonds (distance) P-C4' energy: -12.374 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -4.717 tors. eta vs tors. theta energy: -16.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 424 Temperature: 1.150000 Total energy: -198.050710 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.050710 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.050710 (E_RNA) where: Base-Base interactions energy: -132.621 where: short stacking energy: -64.801 Base-Backbone interact. energy: -0.004 local terms energy: -65.425096 where: bonds (distance) C4'-P energy: -9.468 bonds (distance) P-C4' energy: -14.899 flat angles C4'-P-C4' energy: -12.798 flat angles P-C4'-P energy: -7.975 tors. eta vs tors. theta energy: -20.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 424 Temperature: 1.200000 Total energy: -162.894461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.894461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.894461 (E_RNA) where: Base-Base interactions energy: -109.627 where: short stacking energy: -46.447 Base-Backbone interact. energy: -0.048 local terms energy: -53.219104 where: bonds (distance) C4'-P energy: -12.056 bonds (distance) P-C4' energy: -12.089 flat angles C4'-P-C4' energy: -11.851 flat angles P-C4'-P energy: -8.980 tors. eta vs tors. theta energy: -8.245 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 424 Temperature: 1.250000 Total energy: -171.888964 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.888964 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.888964 (E_RNA) where: Base-Base interactions energy: -121.419 where: short stacking energy: -48.770 Base-Backbone interact. energy: -0.311 local terms energy: -50.159291 where: bonds (distance) C4'-P energy: -10.387 bonds (distance) P-C4' energy: -12.109 flat angles C4'-P-C4' energy: -10.773 flat angles P-C4'-P energy: -1.466 tors. eta vs tors. theta energy: -15.425 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 424 Temperature: 1.300000 Total energy: -78.246630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.246630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.246630 (E_RNA) where: Base-Base interactions energy: -24.840 where: short stacking energy: -22.937 Base-Backbone interact. energy: -0.005 local terms energy: -53.401797 where: bonds (distance) C4'-P energy: -13.795 bonds (distance) P-C4' energy: -14.435 flat angles C4'-P-C4' energy: -12.478 flat angles P-C4'-P energy: -7.966 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: 10, replica: 10 ===================================== Write number: 424 Temperature: 1.350000 Total energy: -74.183927 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.183927 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.183927 (E_RNA) where: Base-Base interactions energy: -27.117 where: short stacking energy: -20.532 Base-Backbone interact. energy: -0.071 local terms energy: -46.996065 where: bonds (distance) C4'-P energy: -11.505 bonds (distance) P-C4' energy: -7.829 flat angles C4'-P-C4' energy: -12.642 flat angles P-C4'-P energy: -9.752 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: 1, replica: 6 ===================================== Write number: 425 Temperature: 0.900000 Total energy: -205.343406 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.343406 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.343406 (E_RNA) where: Base-Base interactions energy: -133.898 where: short stacking energy: -58.512 Base-Backbone interact. energy: -0.383 local terms energy: -71.062342 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -14.823 flat angles P-C4'-P energy: -11.173 tors. eta vs tors. theta energy: -17.409 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 425 Temperature: 0.950000 Total energy: -210.188566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.188566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.188566 (E_RNA) where: Base-Base interactions energy: -138.439 where: short stacking energy: -61.117 Base-Backbone interact. energy: -0.014 local terms energy: -71.736030 where: bonds (distance) C4'-P energy: -13.390 bonds (distance) P-C4' energy: -15.002 flat angles C4'-P-C4' energy: -14.476 flat angles P-C4'-P energy: -9.863 tors. eta vs tors. theta energy: -19.005 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 425 Temperature: 1.000000 Total energy: -190.196311 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.196311 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.196311 (E_RNA) where: Base-Base interactions energy: -124.047 where: short stacking energy: -55.490 Base-Backbone interact. energy: -0.603 local terms energy: -65.546374 where: bonds (distance) C4'-P energy: -13.730 bonds (distance) P-C4' energy: -14.932 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -10.419 tors. eta vs tors. theta energy: -12.917 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 425 Temperature: 1.050000 Total energy: -179.447247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.447247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.447247 (E_RNA) where: Base-Base interactions energy: -116.968 where: short stacking energy: -50.078 Base-Backbone interact. energy: -1.043 local terms energy: -61.436249 where: bonds (distance) C4'-P energy: -12.117 bonds (distance) P-C4' energy: -13.790 flat angles C4'-P-C4' energy: -13.072 flat angles P-C4'-P energy: -11.854 tors. eta vs tors. theta energy: -10.603 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 425 Temperature: 1.100000 Total energy: -187.726683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.726683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.726683 (E_RNA) where: Base-Base interactions energy: -122.626 where: short stacking energy: -56.993 Base-Backbone interact. energy: -1.649 local terms energy: -63.451839 where: bonds (distance) C4'-P energy: -12.669 bonds (distance) P-C4' energy: -14.448 flat angles C4'-P-C4' energy: -12.169 flat angles P-C4'-P energy: -8.336 tors. eta vs tors. theta energy: -15.829 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: 1 ===================================== Write number: 425 Temperature: 1.150000 Total energy: -177.697986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.697986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.697986 (E_RNA) where: Base-Base interactions energy: -126.057 where: short stacking energy: -55.366 Base-Backbone interact. energy: -0.290 local terms energy: -51.351638 where: bonds (distance) C4'-P energy: -13.688 bonds (distance) P-C4' energy: -5.873 flat angles C4'-P-C4' energy: -9.751 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -15.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 425 Temperature: 1.200000 Total energy: -192.499625 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.499625 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.499625 (E_RNA) where: Base-Base interactions energy: -130.722 where: short stacking energy: -57.389 Base-Backbone interact. energy: -0.000 local terms energy: -61.777221 where: bonds (distance) C4'-P energy: -11.816 bonds (distance) P-C4' energy: -10.006 flat angles C4'-P-C4' energy: -12.160 flat angles P-C4'-P energy: -10.954 tors. eta vs tors. theta energy: -16.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 425 Temperature: 1.250000 Total energy: -168.550180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.550180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.550180 (E_RNA) where: Base-Base interactions energy: -118.186 where: short stacking energy: -52.859 Base-Backbone interact. energy: -0.096 local terms energy: -50.267323 where: bonds (distance) C4'-P energy: -10.806 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -10.641 flat angles P-C4'-P energy: -9.572 tors. eta vs tors. theta energy: -7.505 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 425 Temperature: 1.300000 Total energy: -73.707605 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.707605 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.707605 (E_RNA) where: Base-Base interactions energy: -30.109 where: short stacking energy: -30.109 Base-Backbone interact. energy: -0.060 local terms energy: -43.538654 where: bonds (distance) C4'-P energy: -13.581 bonds (distance) P-C4' energy: -12.120 flat angles C4'-P-C4' energy: -8.856 flat angles P-C4'-P energy: -9.761 tors. eta vs tors. theta energy: 0.779 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 425 Temperature: 1.350000 Total energy: -74.877228 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.877228 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.877228 (E_RNA) where: Base-Base interactions energy: -30.342 where: short stacking energy: -24.272 Base-Backbone interact. energy: -0.067 local terms energy: -44.468078 where: bonds (distance) C4'-P energy: -12.142 bonds (distance) P-C4' energy: -10.769 flat angles C4'-P-C4' energy: -11.401 flat angles P-C4'-P energy: -7.275 tors. eta vs tors. theta energy: -2.882 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 426 Temperature: 0.900000 Total energy: -208.660910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.660910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.660910 (E_RNA) where: Base-Base interactions energy: -140.508 where: short stacking energy: -61.886 Base-Backbone interact. energy: -0.001 local terms energy: -68.151143 where: bonds (distance) C4'-P energy: -11.817 bonds (distance) P-C4' energy: -13.112 flat angles C4'-P-C4' energy: -16.162 flat angles P-C4'-P energy: -12.353 tors. eta vs tors. theta energy: -14.708 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: 6 ===================================== Write number: 426 Temperature: 0.950000 Total energy: -190.154722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.154722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.154722 (E_RNA) where: Base-Base interactions energy: -119.952 where: short stacking energy: -53.590 Base-Backbone interact. energy: -0.329 local terms energy: -69.873065 where: bonds (distance) C4'-P energy: -16.159 bonds (distance) P-C4' energy: -14.403 flat angles C4'-P-C4' energy: -12.501 flat angles P-C4'-P energy: -11.264 tors. eta vs tors. theta energy: -15.546 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: 5 ===================================== Write number: 426 Temperature: 1.000000 Total energy: -192.159479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.159479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.159479 (E_RNA) where: Base-Base interactions energy: -122.101 where: short stacking energy: -55.408 Base-Backbone interact. energy: -0.188 local terms energy: -69.870494 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -12.830 flat angles P-C4'-P energy: -10.418 tors. eta vs tors. theta energy: -17.520 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 426 Temperature: 1.050000 Total energy: -189.879703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.879703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.879703 (E_RNA) where: Base-Base interactions energy: -123.217 where: short stacking energy: -49.876 Base-Backbone interact. energy: -0.074 local terms energy: -66.588958 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -14.930 flat angles C4'-P-C4' energy: -13.885 flat angles P-C4'-P energy: -8.069 tors. eta vs tors. theta energy: -14.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 426 Temperature: 1.100000 Total energy: -186.778846 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.778846 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.778846 (E_RNA) where: Base-Base interactions energy: -127.075 where: short stacking energy: -65.394 Base-Backbone interact. energy: -0.000 local terms energy: -59.704258 where: bonds (distance) C4'-P energy: -10.354 bonds (distance) P-C4' energy: -11.863 flat angles C4'-P-C4' energy: -13.182 flat angles P-C4'-P energy: -8.764 tors. eta vs tors. theta energy: -15.542 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 426 Temperature: 1.150000 Total energy: -181.442956 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.442956 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.442956 (E_RNA) where: Base-Base interactions energy: -122.861 where: short stacking energy: -53.376 Base-Backbone interact. energy: -0.467 local terms energy: -58.114856 where: bonds (distance) C4'-P energy: -10.300 bonds (distance) P-C4' energy: -10.306 flat angles C4'-P-C4' energy: -15.386 flat angles P-C4'-P energy: -6.654 tors. eta vs tors. theta energy: -15.469 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: 7, replica: 7 ===================================== Write number: 426 Temperature: 1.200000 Total energy: -180.435802 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.435802 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.435802 (E_RNA) where: Base-Base interactions energy: -115.112 where: short stacking energy: -54.185 Base-Backbone interact. energy: -0.001 local terms energy: -65.322712 where: bonds (distance) C4'-P energy: -10.426 bonds (distance) P-C4' energy: -12.543 flat angles C4'-P-C4' energy: -15.673 flat angles P-C4'-P energy: -8.253 tors. eta vs tors. theta energy: -18.427 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: 9 ===================================== Write number: 426 Temperature: 1.250000 Total energy: -185.061060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.061060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.061060 (E_RNA) where: Base-Base interactions energy: -121.009 where: short stacking energy: -47.716 Base-Backbone interact. energy: -0.007 local terms energy: -64.044831 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -13.061 flat angles C4'-P-C4' energy: -11.768 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -17.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 426 Temperature: 1.300000 Total energy: -89.984988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.984988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.984988 (E_RNA) where: Base-Base interactions energy: -39.947 where: short stacking energy: -39.947 Base-Backbone interact. energy: -0.003 local terms energy: -50.035254 where: bonds (distance) C4'-P energy: -13.749 bonds (distance) P-C4' energy: -12.475 flat angles C4'-P-C4' energy: -10.736 flat angles P-C4'-P energy: -8.190 tors. eta vs tors. theta energy: -4.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 426 Temperature: 1.350000 Total energy: -67.709843 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.709843 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.709843 (E_RNA) where: Base-Base interactions energy: -25.867 where: short stacking energy: -20.283 Base-Backbone interact. energy: -0.702 local terms energy: -41.139990 where: bonds (distance) C4'-P energy: -9.439 bonds (distance) P-C4' energy: -9.534 flat angles C4'-P-C4' energy: -11.354 flat angles P-C4'-P energy: -7.034 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: 2 ===================================== Write number: 427 Temperature: 0.900000 Total energy: -211.571894 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.571894 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.571894 (E_RNA) where: Base-Base interactions energy: -138.905 where: short stacking energy: -68.158 Base-Backbone interact. energy: -0.099 local terms energy: -72.568292 where: bonds (distance) C4'-P energy: -15.475 bonds (distance) P-C4' energy: -16.690 flat angles C4'-P-C4' energy: -14.100 flat angles P-C4'-P energy: -8.918 tors. eta vs tors. theta energy: -17.385 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: 5 ===================================== Write number: 427 Temperature: 0.950000 Total energy: -202.882660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.882660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.882660 (E_RNA) where: Base-Base interactions energy: -139.207 where: short stacking energy: -58.501 Base-Backbone interact. energy: -0.128 local terms energy: -63.547722 where: bonds (distance) C4'-P energy: -13.235 bonds (distance) P-C4' energy: -13.936 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -8.315 tors. eta vs tors. theta energy: -14.482 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 427 Temperature: 1.000000 Total energy: -198.756828 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.756828 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.756828 (E_RNA) where: Base-Base interactions energy: -132.682 where: short stacking energy: -61.782 Base-Backbone interact. energy: -0.108 local terms energy: -65.965956 where: bonds (distance) C4'-P energy: -12.232 bonds (distance) P-C4' energy: -15.752 flat angles C4'-P-C4' energy: -9.426 flat angles P-C4'-P energy: -10.200 tors. eta vs tors. theta energy: -18.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 427 Temperature: 1.050000 Total energy: -202.625864 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.625864 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.625864 (E_RNA) where: Base-Base interactions energy: -129.656 where: short stacking energy: -63.234 Base-Backbone interact. energy: -0.285 local terms energy: -72.685017 where: bonds (distance) C4'-P energy: -15.307 bonds (distance) P-C4' energy: -14.532 flat angles C4'-P-C4' energy: -16.129 flat angles P-C4'-P energy: -8.893 tors. eta vs tors. theta energy: -17.824 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 427 Temperature: 1.100000 Total energy: -188.817730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.817730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.817730 (E_RNA) where: Base-Base interactions energy: -121.932 where: short stacking energy: -60.627 Base-Backbone interact. energy: -0.004 local terms energy: -66.881636 where: bonds (distance) C4'-P energy: -13.600 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -11.998 flat angles P-C4'-P energy: -11.152 tors. eta vs tors. theta energy: -15.515 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: 1 ===================================== Write number: 427 Temperature: 1.150000 Total energy: -185.418308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.418308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.418308 (E_RNA) where: Base-Base interactions energy: -122.153 where: short stacking energy: -52.066 Base-Backbone interact. energy: -0.130 local terms energy: -63.135159 where: bonds (distance) C4'-P energy: -9.958 bonds (distance) P-C4' energy: -13.345 flat angles C4'-P-C4' energy: -17.345 flat angles P-C4'-P energy: -7.541 tors. eta vs tors. theta energy: -14.946 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: 7, replica: 7 ===================================== Write number: 427 Temperature: 1.200000 Total energy: -186.425121 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.425121 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.425121 (E_RNA) where: Base-Base interactions energy: -120.313 where: short stacking energy: -60.433 Base-Backbone interact. energy: -0.408 local terms energy: -65.704909 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -14.283 flat angles C4'-P-C4' energy: -12.299 flat angles P-C4'-P energy: -9.104 tors. eta vs tors. theta energy: -16.730 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 427 Temperature: 1.250000 Total energy: -172.629164 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.629164 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.629164 (E_RNA) where: Base-Base interactions energy: -119.371 where: short stacking energy: -54.104 Base-Backbone interact. energy: -0.319 local terms energy: -52.938764 where: bonds (distance) C4'-P energy: -9.596 bonds (distance) P-C4' energy: -12.423 flat angles C4'-P-C4' energy: -12.059 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -11.683 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 427 Temperature: 1.300000 Total energy: -69.347018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.347018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.347018 (E_RNA) where: Base-Base interactions energy: -24.074 where: short stacking energy: -22.225 Base-Backbone interact. energy: -0.660 local terms energy: -44.612514 where: bonds (distance) C4'-P energy: -14.481 bonds (distance) P-C4' energy: -10.093 flat angles C4'-P-C4' energy: -8.409 flat angles P-C4'-P energy: -10.768 tors. eta vs tors. theta energy: -0.861 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 427 Temperature: 1.350000 Total energy: -80.598920 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.598920 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.598920 (E_RNA) where: Base-Base interactions energy: -34.031 where: short stacking energy: -29.908 Base-Backbone interact. energy: -0.560 local terms energy: -46.008075 where: bonds (distance) C4'-P energy: -10.165 bonds (distance) P-C4' energy: -13.858 flat angles C4'-P-C4' energy: -9.646 flat angles P-C4'-P energy: -4.561 tors. eta vs tors. theta energy: -7.778 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 428 Temperature: 0.900000 Total energy: -208.692687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.692687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.692687 (E_RNA) where: Base-Base interactions energy: -130.711 where: short stacking energy: -65.288 Base-Backbone interact. energy: -0.000 local terms energy: -77.981759 where: bonds (distance) C4'-P energy: -14.452 bonds (distance) P-C4' energy: -15.914 flat angles C4'-P-C4' energy: -13.727 flat angles P-C4'-P energy: -12.541 tors. eta vs tors. theta energy: -21.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 428 Temperature: 0.950000 Total energy: -193.731813 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.731813 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.731813 (E_RNA) where: Base-Base interactions energy: -134.400 where: short stacking energy: -56.033 Base-Backbone interact. energy: -0.131 local terms energy: -59.200829 where: bonds (distance) C4'-P energy: -13.173 bonds (distance) P-C4' energy: -6.825 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -10.323 tors. eta vs tors. theta energy: -15.110 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 6 ===================================== Write number: 428 Temperature: 1.000000 Total energy: -199.557865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.557865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.557865 (E_RNA) where: Base-Base interactions energy: -130.843 where: short stacking energy: -55.769 Base-Backbone interact. energy: -0.001 local terms energy: -68.713591 where: bonds (distance) C4'-P energy: -13.228 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -14.118 flat angles P-C4'-P energy: -7.788 tors. eta vs tors. theta energy: -19.427 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 428 Temperature: 1.050000 Total energy: -205.592970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.592970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.592970 (E_RNA) where: Base-Base interactions energy: -135.784 where: short stacking energy: -62.570 Base-Backbone interact. energy: -0.013 local terms energy: -69.796051 where: bonds (distance) C4'-P energy: -15.480 bonds (distance) P-C4' energy: -14.145 flat angles C4'-P-C4' energy: -11.473 flat angles P-C4'-P energy: -11.575 tors. eta vs tors. theta energy: -17.123 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: 428 Temperature: 1.100000 Total energy: -204.485957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.485957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.485957 (E_RNA) where: Base-Base interactions energy: -139.577 where: short stacking energy: -60.382 Base-Backbone interact. energy: -0.017 local terms energy: -64.892253 where: bonds (distance) C4'-P energy: -12.916 bonds (distance) P-C4' energy: -13.278 flat angles C4'-P-C4' energy: -14.701 flat angles P-C4'-P energy: -6.142 tors. eta vs tors. theta energy: -17.855 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 428 Temperature: 1.150000 Total energy: -192.016244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.016244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.016244 (E_RNA) where: Base-Base interactions energy: -125.869 where: short stacking energy: -64.521 Base-Backbone interact. energy: -0.396 local terms energy: -65.751039 where: bonds (distance) C4'-P energy: -13.696 bonds (distance) P-C4' energy: -13.815 flat angles C4'-P-C4' energy: -11.001 flat angles P-C4'-P energy: -9.531 tors. eta vs tors. theta energy: -17.708 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 428 Temperature: 1.200000 Total energy: -183.716543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.716543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.716543 (E_RNA) where: Base-Base interactions energy: -111.994 where: short stacking energy: -45.855 Base-Backbone interact. energy: -0.320 local terms energy: -71.402196 where: bonds (distance) C4'-P energy: -13.182 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -13.669 flat angles P-C4'-P energy: -10.592 tors. eta vs tors. theta energy: -17.313 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 428 Temperature: 1.250000 Total energy: -175.774323 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.774323 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.774323 (E_RNA) where: Base-Base interactions energy: -108.747 where: short stacking energy: -48.390 Base-Backbone interact. energy: -0.049 local terms energy: -66.978516 where: bonds (distance) C4'-P energy: -13.546 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -14.187 flat angles P-C4'-P energy: -8.814 tors. eta vs tors. theta energy: -15.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 428 Temperature: 1.300000 Total energy: -78.340766 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.340766 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.340766 (E_RNA) where: Base-Base interactions energy: -35.961 where: short stacking energy: -23.873 Base-Backbone interact. energy: -0.152 local terms energy: -42.228202 where: bonds (distance) C4'-P energy: -6.281 bonds (distance) P-C4' energy: -16.837 flat angles C4'-P-C4' energy: -11.545 flat angles P-C4'-P energy: -7.498 tors. eta vs tors. theta energy: -0.068 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 428 Temperature: 1.350000 Total energy: -81.074983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.074983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.074983 (E_RNA) where: Base-Base interactions energy: -39.562 where: short stacking energy: -18.611 Base-Backbone interact. energy: -0.071 local terms energy: -41.442342 where: bonds (distance) C4'-P energy: -13.022 bonds (distance) P-C4' energy: -11.377 flat angles C4'-P-C4' energy: -7.127 flat angles P-C4'-P energy: -6.229 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: 2 ===================================== Write number: 429 Temperature: 0.900000 Total energy: -212.554576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.554576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.554576 (E_RNA) where: Base-Base interactions energy: -144.194 where: short stacking energy: -68.033 Base-Backbone interact. energy: -0.080 local terms energy: -68.279904 where: bonds (distance) C4'-P energy: -15.402 bonds (distance) P-C4' energy: -11.222 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -12.135 tors. eta vs tors. theta energy: -16.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 429 Temperature: 0.950000 Total energy: -203.821445 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.821445 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.821445 (E_RNA) where: Base-Base interactions energy: -132.593 where: short stacking energy: -57.811 Base-Backbone interact. energy: -0.001 local terms energy: -71.227903 where: bonds (distance) C4'-P energy: -13.860 bonds (distance) P-C4' energy: -13.933 flat angles C4'-P-C4' energy: -13.940 flat angles P-C4'-P energy: -9.275 tors. eta vs tors. theta energy: -20.220 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 429 Temperature: 1.000000 Total energy: -195.693223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.693223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.693223 (E_RNA) where: Base-Base interactions energy: -128.622 where: short stacking energy: -65.796 Base-Backbone interact. energy: -0.024 local terms energy: -67.046842 where: bonds (distance) C4'-P energy: -10.131 bonds (distance) P-C4' energy: -11.645 flat angles C4'-P-C4' energy: -16.468 flat angles P-C4'-P energy: -7.223 tors. eta vs tors. theta energy: -21.580 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 429 Temperature: 1.050000 Total energy: -188.903513 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.903513 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.903513 (E_RNA) where: Base-Base interactions energy: -124.100 where: short stacking energy: -54.720 Base-Backbone interact. energy: -0.386 local terms energy: -64.417739 where: bonds (distance) C4'-P energy: -11.902 bonds (distance) P-C4' energy: -13.387 flat angles C4'-P-C4' energy: -12.141 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -18.528 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: 3 ===================================== Write number: 429 Temperature: 1.100000 Total energy: -187.113035 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.113035 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.113035 (E_RNA) where: Base-Base interactions energy: -125.834 where: short stacking energy: -60.339 Base-Backbone interact. energy: -0.051 local terms energy: -61.228089 where: bonds (distance) C4'-P energy: -13.902 bonds (distance) P-C4' energy: -11.990 flat angles C4'-P-C4' energy: -12.916 flat angles P-C4'-P energy: -5.212 tors. eta vs tors. theta energy: -17.208 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: 7 ===================================== Write number: 429 Temperature: 1.150000 Total energy: -200.043575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.043575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.043575 (E_RNA) where: Base-Base interactions energy: -134.523 where: short stacking energy: -62.000 Base-Backbone interact. energy: -0.009 local terms energy: -65.511971 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -14.110 flat angles C4'-P-C4' energy: -13.057 flat angles P-C4'-P energy: -9.884 tors. eta vs tors. theta energy: -15.357 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: 4 ===================================== Write number: 429 Temperature: 1.200000 Total energy: -183.533276 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.533276 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.533276 (E_RNA) where: Base-Base interactions energy: -125.039 where: short stacking energy: -53.193 Base-Backbone interact. energy: -0.211 local terms energy: -58.283675 where: bonds (distance) C4'-P energy: -11.488 bonds (distance) P-C4' energy: -14.304 flat angles C4'-P-C4' energy: -10.531 flat angles P-C4'-P energy: -9.053 tors. eta vs tors. theta energy: -12.908 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: 9 ===================================== Write number: 429 Temperature: 1.250000 Total energy: -154.660214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.660214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.660214 (E_RNA) where: Base-Base interactions energy: -101.430 where: short stacking energy: -41.387 Base-Backbone interact. energy: -0.096 local terms energy: -53.133630 where: bonds (distance) C4'-P energy: -9.986 bonds (distance) P-C4' energy: -11.111 flat angles C4'-P-C4' energy: -12.834 flat angles P-C4'-P energy: -7.708 tors. eta vs tors. theta energy: -11.495 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 429 Temperature: 1.300000 Total energy: -72.414020 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.414020 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.414020 (E_RNA) where: Base-Base interactions energy: -29.526 where: short stacking energy: -29.526 Base-Backbone interact. energy: -0.129 local terms energy: -42.759315 where: bonds (distance) C4'-P energy: -11.013 bonds (distance) P-C4' energy: -11.570 flat angles C4'-P-C4' energy: -10.946 flat angles P-C4'-P energy: -3.421 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: 10, replica: 8 ===================================== Write number: 429 Temperature: 1.350000 Total energy: -77.701726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.701726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.701726 (E_RNA) where: Base-Base interactions energy: -33.057 where: short stacking energy: -29.855 Base-Backbone interact. energy: -0.035 local terms energy: -44.609656 where: bonds (distance) C4'-P energy: -7.998 bonds (distance) P-C4' energy: -8.813 flat angles C4'-P-C4' energy: -13.846 flat angles P-C4'-P energy: -7.401 tors. eta vs tors. theta energy: -6.553 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 430 Temperature: 0.900000 Total energy: -206.410570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.410570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.410570 (E_RNA) where: Base-Base interactions energy: -141.645 where: short stacking energy: -60.689 Base-Backbone interact. energy: -0.046 local terms energy: -64.720027 where: bonds (distance) C4'-P energy: -10.181 bonds (distance) P-C4' energy: -15.709 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -10.620 tors. eta vs tors. theta energy: -15.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 6 ===================================== Write number: 430 Temperature: 0.950000 Total energy: -210.764083 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.764083 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.764083 (E_RNA) where: Base-Base interactions energy: -134.376 where: short stacking energy: -57.940 Base-Backbone interact. energy: -0.595 local terms energy: -75.792826 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -15.365 flat angles C4'-P-C4' energy: -17.390 flat angles P-C4'-P energy: -10.053 tors. eta vs tors. theta energy: -17.670 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 430 Temperature: 1.000000 Total energy: -201.961319 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.961319 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.961319 (E_RNA) where: Base-Base interactions energy: -124.771 where: short stacking energy: -57.895 Base-Backbone interact. energy: -0.726 local terms energy: -76.465116 where: bonds (distance) C4'-P energy: -12.492 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -16.140 flat angles P-C4'-P energy: -11.660 tors. eta vs tors. theta energy: -20.002 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 430 Temperature: 1.050000 Total energy: -196.273997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.273997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.273997 (E_RNA) where: Base-Base interactions energy: -130.113 where: short stacking energy: -61.432 Base-Backbone interact. energy: -0.000 local terms energy: -66.160885 where: bonds (distance) C4'-P energy: -14.163 bonds (distance) P-C4' energy: -10.932 flat angles C4'-P-C4' energy: -13.883 flat angles P-C4'-P energy: -11.141 tors. eta vs tors. theta energy: -16.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 430 Temperature: 1.100000 Total energy: -183.759631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.759631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.759631 (E_RNA) where: Base-Base interactions energy: -124.941 where: short stacking energy: -64.206 Base-Backbone interact. energy: -0.003 local terms energy: -58.816172 where: bonds (distance) C4'-P energy: -9.667 bonds (distance) P-C4' energy: -13.042 flat angles C4'-P-C4' energy: -14.426 flat angles P-C4'-P energy: -6.007 tors. eta vs tors. theta energy: -15.674 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: 3 ===================================== Write number: 430 Temperature: 1.150000 Total energy: -203.419140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.419140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.419140 (E_RNA) where: Base-Base interactions energy: -132.251 where: short stacking energy: -63.689 Base-Backbone interact. energy: -0.239 local terms energy: -70.929367 where: bonds (distance) C4'-P energy: -14.113 bonds (distance) P-C4' energy: -16.239 flat angles C4'-P-C4' energy: -12.930 flat angles P-C4'-P energy: -10.688 tors. eta vs tors. theta energy: -16.958 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: 7, replica: 4 ===================================== Write number: 430 Temperature: 1.200000 Total energy: -177.116351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.116351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.116351 (E_RNA) where: Base-Base interactions energy: -119.660 where: short stacking energy: -47.137 Base-Backbone interact. energy: 0.340 local terms energy: -57.795694 where: bonds (distance) C4'-P energy: -11.924 bonds (distance) P-C4' energy: -13.078 flat angles C4'-P-C4' energy: -8.062 flat angles P-C4'-P energy: -11.414 tors. eta vs tors. theta energy: -13.318 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: 9 ===================================== Write number: 430 Temperature: 1.250000 Total energy: -180.073730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.073730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.073730 (E_RNA) where: Base-Base interactions energy: -125.932 where: short stacking energy: -47.716 Base-Backbone interact. energy: -0.153 local terms energy: -53.989372 where: bonds (distance) C4'-P energy: -11.815 bonds (distance) P-C4' energy: -12.080 flat angles C4'-P-C4' energy: -10.137 flat angles P-C4'-P energy: -10.209 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: 9, replica: 8 ===================================== Write number: 430 Temperature: 1.300000 Total energy: -81.060569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.060569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.060569 (E_RNA) where: Base-Base interactions energy: -32.856 where: short stacking energy: -32.856 Base-Backbone interact. energy: -0.144 local terms energy: -48.061125 where: bonds (distance) C4'-P energy: -10.069 bonds (distance) P-C4' energy: -14.350 flat angles C4'-P-C4' energy: -11.413 flat angles P-C4'-P energy: -6.857 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: 10, replica: 10 ===================================== Write number: 430 Temperature: 1.350000 Total energy: -72.554773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.554773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.554773 (E_RNA) where: Base-Base interactions energy: -34.205 where: short stacking energy: -27.575 Base-Backbone interact. energy: -0.105 local terms energy: -38.244857 where: bonds (distance) C4'-P energy: -6.946 bonds (distance) P-C4' energy: -10.660 flat angles C4'-P-C4' energy: -13.622 flat angles P-C4'-P energy: -6.558 tors. eta vs tors. theta energy: -0.457 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 431 Temperature: 0.900000 Total energy: -207.023140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.023140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.023140 (E_RNA) where: Base-Base interactions energy: -132.960 where: short stacking energy: -59.128 Base-Backbone interact. energy: -0.193 local terms energy: -73.870289 where: bonds (distance) C4'-P energy: -16.068 bonds (distance) P-C4' energy: -14.153 flat angles C4'-P-C4' energy: -16.364 flat angles P-C4'-P energy: -10.206 tors. eta vs tors. theta energy: -17.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 431 Temperature: 0.950000 Total energy: -204.879532 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.879532 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.879532 (E_RNA) where: Base-Base interactions energy: -130.192 where: short stacking energy: -56.387 Base-Backbone interact. energy: -0.000 local terms energy: -74.687169 where: bonds (distance) C4'-P energy: -15.944 bonds (distance) P-C4' energy: -14.688 flat angles C4'-P-C4' energy: -13.466 flat angles P-C4'-P energy: -12.373 tors. eta vs tors. theta energy: -18.217 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: 6 ===================================== Write number: 431 Temperature: 1.000000 Total energy: -200.841322 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.841322 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.841322 (E_RNA) where: Base-Base interactions energy: -133.731 where: short stacking energy: -62.144 Base-Backbone interact. energy: -0.047 local terms energy: -67.063216 where: bonds (distance) C4'-P energy: -13.662 bonds (distance) P-C4' energy: -14.463 flat angles C4'-P-C4' energy: -11.349 flat angles P-C4'-P energy: -10.912 tors. eta vs tors. theta energy: -16.677 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 431 Temperature: 1.050000 Total energy: -193.614681 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.614681 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.614681 (E_RNA) where: Base-Base interactions energy: -124.705 where: short stacking energy: -52.625 Base-Backbone interact. energy: 0.544 local terms energy: -69.452991 where: bonds (distance) C4'-P energy: -14.627 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -16.364 flat angles P-C4'-P energy: -8.453 tors. eta vs tors. theta energy: -17.933 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 431 Temperature: 1.100000 Total energy: -183.121926 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.121926 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.121926 (E_RNA) where: Base-Base interactions energy: -127.280 where: short stacking energy: -51.359 Base-Backbone interact. energy: -0.209 local terms energy: -55.633312 where: bonds (distance) C4'-P energy: -14.986 bonds (distance) P-C4' energy: -9.841 flat angles C4'-P-C4' energy: -9.810 flat angles P-C4'-P energy: -10.032 tors. eta vs tors. theta energy: -10.964 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 431 Temperature: 1.150000 Total energy: -184.272774 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.272774 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.272774 (E_RNA) where: Base-Base interactions energy: -124.006 where: short stacking energy: -56.271 Base-Backbone interact. energy: -0.069 local terms energy: -60.198084 where: bonds (distance) C4'-P energy: -11.870 bonds (distance) P-C4' energy: -13.459 flat angles C4'-P-C4' energy: -10.827 flat angles P-C4'-P energy: -8.267 tors. eta vs tors. theta energy: -15.776 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 431 Temperature: 1.200000 Total energy: -167.530161 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.530161 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.530161 (E_RNA) where: Base-Base interactions energy: -108.036 where: short stacking energy: -58.088 Base-Backbone interact. energy: -0.312 local terms energy: -59.182807 where: bonds (distance) C4'-P energy: -12.366 bonds (distance) P-C4' energy: -11.092 flat angles C4'-P-C4' energy: -11.451 flat angles P-C4'-P energy: -6.453 tors. eta vs tors. theta energy: -17.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 431 Temperature: 1.250000 Total energy: -161.794464 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.794464 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.794464 (E_RNA) where: Base-Base interactions energy: -101.396 where: short stacking energy: -38.384 Base-Backbone interact. energy: 0.140 local terms energy: -60.538890 where: bonds (distance) C4'-P energy: -11.764 bonds (distance) P-C4' energy: -15.089 flat angles C4'-P-C4' energy: -14.533 flat angles P-C4'-P energy: -11.461 tors. eta vs tors. theta energy: -7.693 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 431 Temperature: 1.300000 Total energy: -78.387809 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.387809 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.387809 (E_RNA) where: Base-Base interactions energy: -34.319 where: short stacking energy: -29.788 Base-Backbone interact. energy: 0.089 local terms energy: -44.157921 where: bonds (distance) C4'-P energy: -10.637 bonds (distance) P-C4' energy: -14.773 flat angles C4'-P-C4' energy: -10.613 flat angles P-C4'-P energy: -4.501 tors. eta vs tors. theta energy: -3.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 431 Temperature: 1.350000 Total energy: -75.666720 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.666720 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.666720 (E_RNA) where: Base-Base interactions energy: -26.258 where: short stacking energy: -26.258 Base-Backbone interact. energy: -0.023 local terms energy: -49.385809 where: bonds (distance) C4'-P energy: -9.423 bonds (distance) P-C4' energy: -13.792 flat angles C4'-P-C4' energy: -11.144 flat angles P-C4'-P energy: -7.046 tors. eta vs tors. theta energy: -7.980 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 432 Temperature: 0.900000 Total energy: -212.874260 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.874260 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.874260 (E_RNA) where: Base-Base interactions energy: -141.847 where: short stacking energy: -63.082 Base-Backbone interact. energy: -0.057 local terms energy: -70.970091 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -13.015 flat angles C4'-P-C4' energy: -13.373 flat angles P-C4'-P energy: -11.576 tors. eta vs tors. theta energy: -18.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 432 Temperature: 0.950000 Total energy: -209.246381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.246381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.246381 (E_RNA) where: Base-Base interactions energy: -142.315 where: short stacking energy: -64.550 Base-Backbone interact. energy: -0.008 local terms energy: -66.923594 where: bonds (distance) C4'-P energy: -14.978 bonds (distance) P-C4' energy: -11.531 flat angles C4'-P-C4' energy: -12.074 flat angles P-C4'-P energy: -12.061 tors. eta vs tors. theta energy: -16.279 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: 1 ===================================== Write number: 432 Temperature: 1.000000 Total energy: -208.347940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.347940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.347940 (E_RNA) where: Base-Base interactions energy: -142.647 where: short stacking energy: -61.382 Base-Backbone interact. energy: -0.034 local terms energy: -65.667015 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -12.335 flat angles C4'-P-C4' energy: -14.113 flat angles P-C4'-P energy: -10.567 tors. eta vs tors. theta energy: -16.169 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 432 Temperature: 1.050000 Total energy: -200.379297 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.379297 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.379297 (E_RNA) where: Base-Base interactions energy: -131.459 where: short stacking energy: -61.351 Base-Backbone interact. energy: -0.065 local terms energy: -68.855439 where: bonds (distance) C4'-P energy: -12.474 bonds (distance) P-C4' energy: -13.708 flat angles C4'-P-C4' energy: -16.125 flat angles P-C4'-P energy: -9.629 tors. eta vs tors. theta energy: -16.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 432 Temperature: 1.100000 Total energy: -181.430882 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.430882 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.430882 (E_RNA) where: Base-Base interactions energy: -122.660 where: short stacking energy: -50.101 Base-Backbone interact. energy: -0.038 local terms energy: -58.732465 where: bonds (distance) C4'-P energy: -10.309 bonds (distance) P-C4' energy: -15.192 flat angles C4'-P-C4' energy: -13.815 flat angles P-C4'-P energy: -6.582 tors. eta vs tors. theta energy: -12.833 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 432 Temperature: 1.150000 Total energy: -186.629614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.629614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.629614 (E_RNA) where: Base-Base interactions energy: -123.462 where: short stacking energy: -52.331 Base-Backbone interact. energy: -0.036 local terms energy: -63.131436 where: bonds (distance) C4'-P energy: -10.993 bonds (distance) P-C4' energy: -12.516 flat angles C4'-P-C4' energy: -14.083 flat angles P-C4'-P energy: -8.041 tors. eta vs tors. theta energy: -17.498 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 4 ===================================== Write number: 432 Temperature: 1.200000 Total energy: -190.869411 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.869411 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.869411 (E_RNA) where: Base-Base interactions energy: -131.403 where: short stacking energy: -68.755 Base-Backbone interact. energy: -0.040 local terms energy: -59.427244 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -7.878 flat angles C4'-P-C4' energy: -15.477 flat angles P-C4'-P energy: -6.515 tors. eta vs tors. theta energy: -17.405 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: 9 ===================================== Write number: 432 Temperature: 1.250000 Total energy: -157.939854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.939854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.939854 (E_RNA) where: Base-Base interactions energy: -108.474 where: short stacking energy: -58.198 Base-Backbone interact. energy: -0.045 local terms energy: -49.420343 where: bonds (distance) C4'-P energy: -9.950 bonds (distance) P-C4' energy: -13.392 flat angles C4'-P-C4' energy: -8.632 flat angles P-C4'-P energy: -2.058 tors. eta vs tors. theta energy: -15.389 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 432 Temperature: 1.300000 Total energy: -89.310204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.310204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.310204 (E_RNA) where: Base-Base interactions energy: -37.334 where: short stacking energy: -28.359 Base-Backbone interact. energy: -0.232 local terms energy: -51.744258 where: bonds (distance) C4'-P energy: -12.242 bonds (distance) P-C4' energy: -14.442 flat angles C4'-P-C4' energy: -11.775 flat angles P-C4'-P energy: -9.813 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: 432 Temperature: 1.350000 Total energy: -72.680137 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.680137 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.680137 (E_RNA) where: Base-Base interactions energy: -28.972 where: short stacking energy: -26.644 Base-Backbone interact. energy: 0.660 local terms energy: -44.368097 where: bonds (distance) C4'-P energy: -12.371 bonds (distance) P-C4' energy: -13.255 flat angles C4'-P-C4' energy: -13.609 flat angles P-C4'-P energy: -7.471 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: 5 ===================================== Write number: 433 Temperature: 0.900000 Total energy: -213.209609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.209609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.209609 (E_RNA) where: Base-Base interactions energy: -144.819 where: short stacking energy: -64.791 Base-Backbone interact. energy: -0.005 local terms energy: -68.385718 where: bonds (distance) C4'-P energy: -10.404 bonds (distance) P-C4' energy: -13.085 flat angles C4'-P-C4' energy: -13.794 flat angles P-C4'-P energy: -11.558 tors. eta vs tors. theta energy: -19.544 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 433 Temperature: 0.950000 Total energy: -202.463741 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.463741 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.463741 (E_RNA) where: Base-Base interactions energy: -131.894 where: short stacking energy: -55.679 Base-Backbone interact. energy: -0.001 local terms energy: -70.569291 where: bonds (distance) C4'-P energy: -12.490 bonds (distance) P-C4' energy: -13.552 flat angles C4'-P-C4' energy: -14.890 flat angles P-C4'-P energy: -10.629 tors. eta vs tors. theta energy: -19.008 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 433 Temperature: 1.000000 Total energy: -206.822547 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.822547 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.822547 (E_RNA) where: Base-Base interactions energy: -135.298 where: short stacking energy: -63.715 Base-Backbone interact. energy: -0.008 local terms energy: -71.516017 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -15.924 flat angles C4'-P-C4' energy: -13.857 flat angles P-C4'-P energy: -10.345 tors. eta vs tors. theta energy: -16.469 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: 3 ===================================== Write number: 433 Temperature: 1.050000 Total energy: -198.410773 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.410773 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.410773 (E_RNA) where: Base-Base interactions energy: -125.420 where: short stacking energy: -59.686 Base-Backbone interact. energy: 0.064 local terms energy: -73.054784 where: bonds (distance) C4'-P energy: -15.046 bonds (distance) P-C4' energy: -15.160 flat angles C4'-P-C4' energy: -15.547 flat angles P-C4'-P energy: -11.923 tors. eta vs tors. theta energy: -15.379 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 433 Temperature: 1.100000 Total energy: -196.617443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.617443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.617443 (E_RNA) where: Base-Base interactions energy: -134.446 where: short stacking energy: -58.568 Base-Backbone interact. energy: -0.005 local terms energy: -62.166006 where: bonds (distance) C4'-P energy: -10.718 bonds (distance) P-C4' energy: -14.491 flat angles C4'-P-C4' energy: -13.450 flat angles P-C4'-P energy: -3.279 tors. eta vs tors. theta energy: -20.228 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 433 Temperature: 1.150000 Total energy: -185.905428 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.905428 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.905428 (E_RNA) where: Base-Base interactions energy: -133.317 where: short stacking energy: -53.123 Base-Backbone interact. energy: 2.630 local terms energy: -55.218480 where: bonds (distance) C4'-P energy: -8.620 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -11.435 flat angles P-C4'-P energy: -4.302 tors. eta vs tors. theta energy: -15.106 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 433 Temperature: 1.200000 Total energy: -169.242702 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.242702 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.242702 (E_RNA) where: Base-Base interactions energy: -120.904 where: short stacking energy: -48.675 Base-Backbone interact. energy: -0.850 local terms energy: -47.489181 where: bonds (distance) C4'-P energy: -8.744 bonds (distance) P-C4' energy: -15.032 flat angles C4'-P-C4' energy: -4.304 flat angles P-C4'-P energy: -7.622 tors. eta vs tors. theta energy: -11.786 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 8 ===================================== Write number: 433 Temperature: 1.250000 Total energy: -84.181824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.181824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.181824 (E_RNA) where: Base-Base interactions energy: -33.682 where: short stacking energy: -23.321 Base-Backbone interact. energy: 4.033 local terms energy: -54.532916 where: bonds (distance) C4'-P energy: -13.099 bonds (distance) P-C4' energy: -13.715 flat angles C4'-P-C4' energy: -13.522 flat angles P-C4'-P energy: -8.945 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: 9, replica: 9 ===================================== Write number: 433 Temperature: 1.300000 Total energy: -171.744470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.744470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.744470 (E_RNA) where: Base-Base interactions energy: -115.841 where: short stacking energy: -47.226 Base-Backbone interact. energy: -0.135 local terms energy: -55.768965 where: bonds (distance) C4'-P energy: -9.853 bonds (distance) P-C4' energy: -15.143 flat angles C4'-P-C4' energy: -13.252 flat angles P-C4'-P energy: -4.879 tors. eta vs tors. theta energy: -12.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 433 Temperature: 1.350000 Total energy: -84.242902 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.242902 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.242902 (E_RNA) where: Base-Base interactions energy: -35.762 where: short stacking energy: -35.762 Base-Backbone interact. energy: -0.134 local terms energy: -48.346884 where: bonds (distance) C4'-P energy: -15.145 bonds (distance) P-C4' energy: -10.626 flat angles C4'-P-C4' energy: -8.124 flat angles P-C4'-P energy: -6.540 tors. eta vs tors. theta energy: -7.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 434 Temperature: 0.900000 Total energy: -213.542499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.542499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.542499 (E_RNA) where: Base-Base interactions energy: -145.204 where: short stacking energy: -70.867 Base-Backbone interact. energy: -0.000 local terms energy: -68.338166 where: bonds (distance) C4'-P energy: -10.902 bonds (distance) P-C4' energy: -12.035 flat angles C4'-P-C4' energy: -14.062 flat angles P-C4'-P energy: -9.442 tors. eta vs tors. theta energy: -21.898 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: 434 Temperature: 0.950000 Total energy: -210.353987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.353987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.353987 (E_RNA) where: Base-Base interactions energy: -135.791 where: short stacking energy: -64.064 Base-Backbone interact. energy: -0.004 local terms energy: -74.558660 where: bonds (distance) C4'-P energy: -11.737 bonds (distance) P-C4' energy: -15.209 flat angles C4'-P-C4' energy: -15.987 flat angles P-C4'-P energy: -11.171 tors. eta vs tors. theta energy: -20.455 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 434 Temperature: 1.000000 Total energy: -196.847707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.847707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.847707 (E_RNA) where: Base-Base interactions energy: -127.291 where: short stacking energy: -54.790 Base-Backbone interact. energy: -0.014 local terms energy: -69.543133 where: bonds (distance) C4'-P energy: -7.368 bonds (distance) P-C4' energy: -16.457 flat angles C4'-P-C4' energy: -16.110 flat angles P-C4'-P energy: -11.973 tors. eta vs tors. theta energy: -17.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 434 Temperature: 1.050000 Total energy: -189.315419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.315419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.315419 (E_RNA) where: Base-Base interactions energy: -131.721 where: short stacking energy: -54.051 Base-Backbone interact. energy: 0.557 local terms energy: -58.151310 where: bonds (distance) C4'-P energy: -11.232 bonds (distance) P-C4' energy: -12.006 flat angles C4'-P-C4' energy: -15.164 flat angles P-C4'-P energy: -7.145 tors. eta vs tors. theta energy: -12.604 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: 4 ===================================== Write number: 434 Temperature: 1.100000 Total energy: -191.996714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.996714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.996714 (E_RNA) where: Base-Base interactions energy: -130.607 where: short stacking energy: -51.290 Base-Backbone interact. energy: -0.071 local terms energy: -61.318788 where: bonds (distance) C4'-P energy: -11.348 bonds (distance) P-C4' energy: -11.345 flat angles C4'-P-C4' energy: -17.628 flat angles P-C4'-P energy: -9.198 tors. eta vs tors. theta energy: -11.800 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: 6 ===================================== Write number: 434 Temperature: 1.150000 Total energy: -173.646091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.646091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.646091 (E_RNA) where: Base-Base interactions energy: -112.878 where: short stacking energy: -53.033 Base-Backbone interact. energy: -0.095 local terms energy: -60.673495 where: bonds (distance) C4'-P energy: -11.054 bonds (distance) P-C4' energy: -11.549 flat angles C4'-P-C4' energy: -16.774 flat angles P-C4'-P energy: -8.661 tors. eta vs tors. theta energy: -12.634 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 434 Temperature: 1.200000 Total energy: -172.909948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.909948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.909948 (E_RNA) where: Base-Base interactions energy: -118.977 where: short stacking energy: -53.937 Base-Backbone interact. energy: -0.000 local terms energy: -53.932524 where: bonds (distance) C4'-P energy: -8.791 bonds (distance) P-C4' energy: -10.804 flat angles C4'-P-C4' energy: -11.319 flat angles P-C4'-P energy: -6.345 tors. eta vs tors. theta energy: -16.674 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: 8 ===================================== Write number: 434 Temperature: 1.250000 Total energy: -89.682768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.682768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.682768 (E_RNA) where: Base-Base interactions energy: -42.084 where: short stacking energy: -26.610 Base-Backbone interact. energy: -0.391 local terms energy: -47.207646 where: bonds (distance) C4'-P energy: -15.211 bonds (distance) P-C4' energy: -10.684 flat angles C4'-P-C4' energy: -13.205 flat angles P-C4'-P energy: -3.511 tors. eta vs tors. theta energy: -4.597 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 9 ===================================== Write number: 434 Temperature: 1.300000 Total energy: -164.935667 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.935667 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.935667 (E_RNA) where: Base-Base interactions energy: -115.421 where: short stacking energy: -48.916 Base-Backbone interact. energy: -0.293 local terms energy: -49.221821 where: bonds (distance) C4'-P energy: -9.950 bonds (distance) P-C4' energy: -11.157 flat angles C4'-P-C4' energy: -12.523 flat angles P-C4'-P energy: -8.123 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: 10, replica: 10 ===================================== Write number: 434 Temperature: 1.350000 Total energy: -67.004731 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.004731 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.004731 (E_RNA) where: Base-Base interactions energy: -32.817 where: short stacking energy: -14.612 Base-Backbone interact. energy: -0.116 local terms energy: -34.071860 where: bonds (distance) C4'-P energy: -12.966 bonds (distance) P-C4' energy: -10.436 flat angles C4'-P-C4' energy: -6.858 flat angles P-C4'-P energy: -8.632 tors. eta vs tors. theta energy: 4.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 435 Temperature: 0.900000 Total energy: -210.184784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.184784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.184784 (E_RNA) where: Base-Base interactions energy: -134.532 where: short stacking energy: -59.567 Base-Backbone interact. energy: -0.373 local terms energy: -75.279457 where: bonds (distance) C4'-P energy: -14.611 bonds (distance) P-C4' energy: -16.460 flat angles C4'-P-C4' energy: -16.253 flat angles P-C4'-P energy: -9.627 tors. eta vs tors. theta energy: -18.329 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 435 Temperature: 0.950000 Total energy: -202.145354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.145354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.145354 (E_RNA) where: Base-Base interactions energy: -134.346 where: short stacking energy: -56.236 Base-Backbone interact. energy: 0.187 local terms energy: -67.986578 where: bonds (distance) C4'-P energy: -13.910 bonds (distance) P-C4' energy: -13.047 flat angles C4'-P-C4' energy: -13.944 flat angles P-C4'-P energy: -10.657 tors. eta vs tors. theta energy: -16.430 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: 2 ===================================== Write number: 435 Temperature: 1.000000 Total energy: -197.242988 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.242988 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.242988 (E_RNA) where: Base-Base interactions energy: -125.286 where: short stacking energy: -53.132 Base-Backbone interact. energy: -0.087 local terms energy: -71.870820 where: bonds (distance) C4'-P energy: -15.501 bonds (distance) P-C4' energy: -16.680 flat angles C4'-P-C4' energy: -12.888 flat angles P-C4'-P energy: -9.066 tors. eta vs tors. theta energy: -17.736 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: 4 ===================================== Write number: 435 Temperature: 1.050000 Total energy: -196.155037 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.155037 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.155037 (E_RNA) where: Base-Base interactions energy: -132.514 where: short stacking energy: -54.134 Base-Backbone interact. energy: -0.063 local terms energy: -63.578666 where: bonds (distance) C4'-P energy: -10.938 bonds (distance) P-C4' energy: -11.061 flat angles C4'-P-C4' energy: -15.173 flat angles P-C4'-P energy: -11.544 tors. eta vs tors. theta energy: -14.863 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: 3 ===================================== Write number: 435 Temperature: 1.100000 Total energy: -186.100876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.100876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.100876 (E_RNA) where: Base-Base interactions energy: -122.068 where: short stacking energy: -52.810 Base-Backbone interact. energy: -0.402 local terms energy: -63.631554 where: bonds (distance) C4'-P energy: -10.830 bonds (distance) P-C4' energy: -15.712 flat angles C4'-P-C4' energy: -11.739 flat angles P-C4'-P energy: -11.676 tors. eta vs tors. theta energy: -13.674 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: 7 ===================================== Write number: 435 Temperature: 1.150000 Total energy: -172.377356 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.377356 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.377356 (E_RNA) where: Base-Base interactions energy: -115.661 where: short stacking energy: -53.072 Base-Backbone interact. energy: -0.281 local terms energy: -56.435419 where: bonds (distance) C4'-P energy: -9.535 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -11.003 flat angles P-C4'-P energy: -11.142 tors. eta vs tors. theta energy: -10.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 435 Temperature: 1.200000 Total energy: -176.972654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.972654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.972654 (E_RNA) where: Base-Base interactions energy: -113.881 where: short stacking energy: -57.522 Base-Backbone interact. energy: -0.098 local terms energy: -62.993049 where: bonds (distance) C4'-P energy: -11.546 bonds (distance) P-C4' energy: -13.877 flat angles C4'-P-C4' energy: -16.104 flat angles P-C4'-P energy: -6.594 tors. eta vs tors. theta energy: -14.871 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 435 Temperature: 1.250000 Total energy: -166.754329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.754329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.754329 (E_RNA) where: Base-Base interactions energy: -106.753 where: short stacking energy: -49.933 Base-Backbone interact. energy: -0.079 local terms energy: -59.922894 where: bonds (distance) C4'-P energy: -15.207 bonds (distance) P-C4' energy: -15.309 flat angles C4'-P-C4' energy: -11.837 flat angles P-C4'-P energy: -6.074 tors. eta vs tors. theta energy: -11.495 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: 8 ===================================== Write number: 435 Temperature: 1.300000 Total energy: -74.659737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.659737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.659737 (E_RNA) where: Base-Base interactions energy: -23.849 where: short stacking energy: -23.849 Base-Backbone interact. energy: -0.022 local terms energy: -50.788131 where: bonds (distance) C4'-P energy: -14.429 bonds (distance) P-C4' energy: -13.601 flat angles C4'-P-C4' energy: -9.406 flat angles P-C4'-P energy: -7.417 tors. eta vs tors. theta energy: -5.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 435 Temperature: 1.350000 Total energy: -74.679870 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.679870 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.679870 (E_RNA) where: Base-Base interactions energy: -38.702 where: short stacking energy: -17.732 Base-Backbone interact. energy: -1.459 local terms energy: -34.519029 where: bonds (distance) C4'-P energy: -9.995 bonds (distance) P-C4' energy: -12.328 flat angles C4'-P-C4' energy: -9.847 flat angles P-C4'-P energy: -4.176 tors. eta vs tors. theta energy: 1.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 436 Temperature: 0.900000 Total energy: -212.665635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.665635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.665635 (E_RNA) where: Base-Base interactions energy: -138.865 where: short stacking energy: -60.746 Base-Backbone interact. energy: -0.007 local terms energy: -73.793700 where: bonds (distance) C4'-P energy: -14.590 bonds (distance) P-C4' energy: -15.498 flat angles C4'-P-C4' energy: -15.845 flat angles P-C4'-P energy: -9.204 tors. eta vs tors. theta energy: -18.657 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 436 Temperature: 0.950000 Total energy: -199.865439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.865439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.865439 (E_RNA) where: Base-Base interactions energy: -132.948 where: short stacking energy: -53.101 Base-Backbone interact. energy: -0.089 local terms energy: -66.829071 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -13.676 flat angles C4'-P-C4' energy: -15.056 flat angles P-C4'-P energy: -11.544 tors. eta vs tors. theta energy: -12.463 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 436 Temperature: 1.000000 Total energy: -198.924656 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.924656 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.924656 (E_RNA) where: Base-Base interactions energy: -132.423 where: short stacking energy: -59.233 Base-Backbone interact. energy: -0.006 local terms energy: -66.495765 where: bonds (distance) C4'-P energy: -13.160 bonds (distance) P-C4' energy: -14.762 flat angles C4'-P-C4' energy: -13.926 flat angles P-C4'-P energy: -7.940 tors. eta vs tors. theta energy: -16.708 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: 4 ===================================== Write number: 436 Temperature: 1.050000 Total energy: -200.018470 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.018470 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.018470 (E_RNA) where: Base-Base interactions energy: -131.466 where: short stacking energy: -60.018 Base-Backbone interact. energy: -0.004 local terms energy: -68.548420 where: bonds (distance) C4'-P energy: -13.887 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -11.727 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -15.517 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 436 Temperature: 1.100000 Total energy: -181.942657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.942657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.942657 (E_RNA) where: Base-Base interactions energy: -122.665 where: short stacking energy: -58.438 Base-Backbone interact. energy: -0.007 local terms energy: -59.271263 where: bonds (distance) C4'-P energy: -13.322 bonds (distance) P-C4' energy: -13.700 flat angles C4'-P-C4' energy: -11.887 flat angles P-C4'-P energy: -5.560 tors. eta vs tors. theta energy: -14.803 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: 6, replica: 3 ===================================== Write number: 436 Temperature: 1.150000 Total energy: -187.132287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.132287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.132287 (E_RNA) where: Base-Base interactions energy: -133.140 where: short stacking energy: -58.660 Base-Backbone interact. energy: -0.040 local terms energy: -53.952385 where: bonds (distance) C4'-P energy: -9.062 bonds (distance) P-C4' energy: -8.904 flat angles C4'-P-C4' energy: -12.473 flat angles P-C4'-P energy: -9.367 tors. eta vs tors. theta energy: -14.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 436 Temperature: 1.200000 Total energy: -175.827263 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.827263 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.827263 (E_RNA) where: Base-Base interactions energy: -120.884 where: short stacking energy: -56.379 Base-Backbone interact. energy: -0.015 local terms energy: -54.929049 where: bonds (distance) C4'-P energy: -7.726 bonds (distance) P-C4' energy: -8.601 flat angles C4'-P-C4' energy: -13.238 flat angles P-C4'-P energy: -9.747 tors. eta vs tors. theta energy: -15.617 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: 6 ===================================== Write number: 436 Temperature: 1.250000 Total energy: -162.724381 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.724381 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.724381 (E_RNA) where: Base-Base interactions energy: -118.196 where: short stacking energy: -50.478 Base-Backbone interact. energy: -0.105 local terms energy: -44.423518 where: bonds (distance) C4'-P energy: -5.078 bonds (distance) P-C4' energy: -13.634 flat angles C4'-P-C4' energy: -7.833 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -9.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 436 Temperature: 1.300000 Total energy: -87.793117 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.793117 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.793117 (E_RNA) where: Base-Base interactions energy: -43.373 where: short stacking energy: -23.720 Base-Backbone interact. energy: -0.100 local terms energy: -44.319464 where: bonds (distance) C4'-P energy: -11.753 bonds (distance) P-C4' energy: -15.098 flat angles C4'-P-C4' energy: -8.958 flat angles P-C4'-P energy: -6.758 tors. eta vs tors. theta energy: -1.752 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 436 Temperature: 1.350000 Total energy: -77.331271 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.331271 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.331271 (E_RNA) where: Base-Base interactions energy: -37.089 where: short stacking energy: -37.089 Base-Backbone interact. energy: -0.080 local terms energy: -40.162065 where: bonds (distance) C4'-P energy: -8.085 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -9.862 flat angles P-C4'-P energy: -3.548 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: 1, replica: 5 ===================================== Write number: 437 Temperature: 0.900000 Total energy: -208.775034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.775034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.775034 (E_RNA) where: Base-Base interactions energy: -139.522 where: short stacking energy: -64.901 Base-Backbone interact. energy: -0.070 local terms energy: -69.182992 where: bonds (distance) C4'-P energy: -12.568 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -15.994 flat angles P-C4'-P energy: -8.293 tors. eta vs tors. theta energy: -17.217 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 437 Temperature: 0.950000 Total energy: -211.860447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.860447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.860447 (E_RNA) where: Base-Base interactions energy: -139.045 where: short stacking energy: -67.939 Base-Backbone interact. energy: -0.972 local terms energy: -71.842769 where: bonds (distance) C4'-P energy: -14.009 bonds (distance) P-C4' energy: -11.751 flat angles C4'-P-C4' energy: -14.828 flat angles P-C4'-P energy: -11.088 tors. eta vs tors. theta energy: -20.167 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: 1 ===================================== Write number: 437 Temperature: 1.000000 Total energy: -201.338987 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.338987 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.338987 (E_RNA) where: Base-Base interactions energy: -136.330 where: short stacking energy: -62.412 Base-Backbone interact. energy: -0.001 local terms energy: -65.008089 where: bonds (distance) C4'-P energy: -10.338 bonds (distance) P-C4' energy: -14.715 flat angles C4'-P-C4' energy: -14.954 flat angles P-C4'-P energy: -7.857 tors. eta vs tors. theta energy: -17.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 437 Temperature: 1.050000 Total energy: -202.106011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.106011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.106011 (E_RNA) where: Base-Base interactions energy: -135.094 where: short stacking energy: -65.148 Base-Backbone interact. energy: -0.022 local terms energy: -66.990244 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -12.352 flat angles C4'-P-C4' energy: -15.240 flat angles P-C4'-P energy: -7.773 tors. eta vs tors. theta energy: -20.733 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 437 Temperature: 1.100000 Total energy: -184.250629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.250629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.250629 (E_RNA) where: Base-Base interactions energy: -118.964 where: short stacking energy: -54.715 Base-Backbone interact. energy: -0.006 local terms energy: -65.281194 where: bonds (distance) C4'-P energy: -10.225 bonds (distance) P-C4' energy: -15.449 flat angles C4'-P-C4' energy: -16.334 flat angles P-C4'-P energy: -3.731 tors. eta vs tors. theta energy: -19.543 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 437 Temperature: 1.150000 Total energy: -183.280029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.280029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.280029 (E_RNA) where: Base-Base interactions energy: -121.218 where: short stacking energy: -51.335 Base-Backbone interact. energy: -0.061 local terms energy: -62.000626 where: bonds (distance) C4'-P energy: -12.337 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -11.490 flat angles P-C4'-P energy: -9.920 tors. eta vs tors. theta energy: -14.570 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 437 Temperature: 1.200000 Total energy: -172.791986 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.791986 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.791986 (E_RNA) where: Base-Base interactions energy: -114.161 where: short stacking energy: -56.944 Base-Backbone interact. energy: -0.186 local terms energy: -58.445831 where: bonds (distance) C4'-P energy: -13.972 bonds (distance) P-C4' energy: -14.579 flat angles C4'-P-C4' energy: -12.970 flat angles P-C4'-P energy: -6.149 tors. eta vs tors. theta energy: -10.776 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: 6 ===================================== Write number: 437 Temperature: 1.250000 Total energy: -172.753888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.753888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.753888 (E_RNA) where: Base-Base interactions energy: -109.784 where: short stacking energy: -54.530 Base-Backbone interact. energy: -0.096 local terms energy: -62.873679 where: bonds (distance) C4'-P energy: -11.041 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -14.209 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -13.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 437 Temperature: 1.300000 Total energy: -79.432212 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.432212 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.432212 (E_RNA) where: Base-Base interactions energy: -32.139 where: short stacking energy: -31.008 Base-Backbone interact. energy: -0.410 local terms energy: -46.883170 where: bonds (distance) C4'-P energy: -14.962 bonds (distance) P-C4' energy: -11.118 flat angles C4'-P-C4' energy: -13.168 flat angles P-C4'-P energy: -8.697 tors. eta vs tors. theta energy: 1.062 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: 10, replica: 8 ===================================== Write number: 437 Temperature: 1.350000 Total energy: -73.861559 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.861559 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.861559 (E_RNA) where: Base-Base interactions energy: -30.504 where: short stacking energy: -24.134 Base-Backbone interact. energy: -0.107 local terms energy: -43.250328 where: bonds (distance) C4'-P energy: -12.748 bonds (distance) P-C4' energy: -11.515 flat angles C4'-P-C4' energy: -10.006 flat angles P-C4'-P energy: -9.507 tors. eta vs tors. theta energy: 0.526 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: 438 Temperature: 0.900000 Total energy: -207.996585 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.996585 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.996585 (E_RNA) where: Base-Base interactions energy: -142.996 where: short stacking energy: -62.811 Base-Backbone interact. energy: -0.033 local terms energy: -64.967591 where: bonds (distance) C4'-P energy: -14.114 bonds (distance) P-C4' energy: -13.697 flat angles C4'-P-C4' energy: -11.494 flat angles P-C4'-P energy: -10.490 tors. eta vs tors. theta energy: -15.173 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 438 Temperature: 0.950000 Total energy: -200.411198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.411198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.411198 (E_RNA) where: Base-Base interactions energy: -135.008 where: short stacking energy: -59.301 Base-Backbone interact. energy: -0.242 local terms energy: -65.160964 where: bonds (distance) C4'-P energy: -13.661 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -11.936 flat angles P-C4'-P energy: -6.786 tors. eta vs tors. theta energy: -17.548 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: 3, replica: 4 ===================================== Write number: 438 Temperature: 1.000000 Total energy: -194.681866 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.681866 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.681866 (E_RNA) where: Base-Base interactions energy: -123.438 where: short stacking energy: -56.174 Base-Backbone interact. energy: -0.013 local terms energy: -71.230877 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -14.779 flat angles C4'-P-C4' energy: -13.902 flat angles P-C4'-P energy: -11.168 tors. eta vs tors. theta energy: -19.289 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 438 Temperature: 1.050000 Total energy: -198.289307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.289307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.289307 (E_RNA) where: Base-Base interactions energy: -130.578 where: short stacking energy: -66.432 Base-Backbone interact. energy: -0.003 local terms energy: -67.708556 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -10.595 flat angles C4'-P-C4' energy: -14.546 flat angles P-C4'-P energy: -11.234 tors. eta vs tors. theta energy: -17.308 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 438 Temperature: 1.100000 Total energy: -184.368503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.368503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.368503 (E_RNA) where: Base-Base interactions energy: -119.738 where: short stacking energy: -56.235 Base-Backbone interact. energy: -0.044 local terms energy: -64.586900 where: bonds (distance) C4'-P energy: -11.427 bonds (distance) P-C4' energy: -12.363 flat angles C4'-P-C4' energy: -13.965 flat angles P-C4'-P energy: -10.373 tors. eta vs tors. theta energy: -16.459 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 438 Temperature: 1.150000 Total energy: -196.756347 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.756347 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.756347 (E_RNA) where: Base-Base interactions energy: -128.106 where: short stacking energy: -59.378 Base-Backbone interact. energy: -0.493 local terms energy: -68.157135 where: bonds (distance) C4'-P energy: -12.350 bonds (distance) P-C4' energy: -14.253 flat angles C4'-P-C4' energy: -11.310 flat angles P-C4'-P energy: -10.841 tors. eta vs tors. theta energy: -19.403 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: 7, replica: 6 ===================================== Write number: 438 Temperature: 1.200000 Total energy: -176.313437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.313437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.313437 (E_RNA) where: Base-Base interactions energy: -121.068 where: short stacking energy: -54.204 Base-Backbone interact. energy: -0.591 local terms energy: -54.654808 where: bonds (distance) C4'-P energy: -12.470 bonds (distance) P-C4' energy: -11.470 flat angles C4'-P-C4' energy: -13.778 flat angles P-C4'-P energy: -4.982 tors. eta vs tors. theta energy: -11.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 438 Temperature: 1.250000 Total energy: -180.102791 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.102791 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.102791 (E_RNA) where: Base-Base interactions energy: -114.228 where: short stacking energy: -53.708 Base-Backbone interact. energy: -0.000 local terms energy: -65.874620 where: bonds (distance) C4'-P energy: -13.220 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -15.496 flat angles P-C4'-P energy: -9.119 tors. eta vs tors. theta energy: -14.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 438 Temperature: 1.300000 Total energy: -74.914696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.914696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.914696 (E_RNA) where: Base-Base interactions energy: -32.419 where: short stacking energy: -32.059 Base-Backbone interact. energy: -0.095 local terms energy: -42.400009 where: bonds (distance) C4'-P energy: -12.194 bonds (distance) P-C4' energy: -15.286 flat angles C4'-P-C4' energy: -6.474 flat angles P-C4'-P energy: -7.447 tors. eta vs tors. theta energy: -0.999 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 438 Temperature: 1.350000 Total energy: -70.627543 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.627543 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.627543 (E_RNA) where: Base-Base interactions energy: -23.542 where: short stacking energy: -23.542 Base-Backbone interact. energy: 0.411 local terms energy: -47.496450 where: bonds (distance) C4'-P energy: -13.752 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -9.240 flat angles P-C4'-P energy: -6.338 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: 5 ===================================== Write number: 439 Temperature: 0.900000 Total energy: -208.814204 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.814204 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.814204 (E_RNA) where: Base-Base interactions energy: -140.815 where: short stacking energy: -66.325 Base-Backbone interact. energy: -0.005 local terms energy: -67.994404 where: bonds (distance) C4'-P energy: -12.979 bonds (distance) P-C4' energy: -10.934 flat angles C4'-P-C4' energy: -17.473 flat angles P-C4'-P energy: -8.726 tors. eta vs tors. theta energy: -17.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 439 Temperature: 0.950000 Total energy: -205.840587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.840587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.840587 (E_RNA) where: Base-Base interactions energy: -139.754 where: short stacking energy: -62.037 Base-Backbone interact. energy: -0.410 local terms energy: -65.675923 where: bonds (distance) C4'-P energy: -8.323 bonds (distance) P-C4' energy: -16.054 flat angles C4'-P-C4' energy: -13.606 flat angles P-C4'-P energy: -11.256 tors. eta vs tors. theta energy: -16.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 439 Temperature: 1.000000 Total energy: -202.506767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.506767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.506767 (E_RNA) where: Base-Base interactions energy: -137.589 where: short stacking energy: -59.748 Base-Backbone interact. energy: -0.345 local terms energy: -64.573244 where: bonds (distance) C4'-P energy: -13.270 bonds (distance) P-C4' energy: -13.370 flat angles C4'-P-C4' energy: -11.547 flat angles P-C4'-P energy: -9.125 tors. eta vs tors. theta energy: -17.262 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: 4, replica: 1 ===================================== Write number: 439 Temperature: 1.050000 Total energy: -193.086091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.086091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.086091 (E_RNA) where: Base-Base interactions energy: -131.352 where: short stacking energy: -65.140 Base-Backbone interact. energy: -0.050 local terms energy: -61.684026 where: bonds (distance) C4'-P energy: -11.075 bonds (distance) P-C4' energy: -13.264 flat angles C4'-P-C4' energy: -10.557 flat angles P-C4'-P energy: -6.548 tors. eta vs tors. theta energy: -20.240 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 439 Temperature: 1.100000 Total energy: -177.157812 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.157812 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.157812 (E_RNA) where: Base-Base interactions energy: -119.297 where: short stacking energy: -56.217 Base-Backbone interact. energy: -0.146 local terms energy: -57.715222 where: bonds (distance) C4'-P energy: -13.289 bonds (distance) P-C4' energy: -14.430 flat angles C4'-P-C4' energy: -9.187 flat angles P-C4'-P energy: -10.182 tors. eta vs tors. theta energy: -10.628 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: 439 Temperature: 1.150000 Total energy: -193.485057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.485057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.485057 (E_RNA) where: Base-Base interactions energy: -127.398 where: short stacking energy: -59.943 Base-Backbone interact. energy: -0.018 local terms energy: -66.069292 where: bonds (distance) C4'-P energy: -10.379 bonds (distance) P-C4' energy: -15.110 flat angles C4'-P-C4' energy: -13.925 flat angles P-C4'-P energy: -6.634 tors. eta vs tors. theta energy: -20.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 439 Temperature: 1.200000 Total energy: -186.748157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.748157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.748157 (E_RNA) where: Base-Base interactions energy: -122.776 where: short stacking energy: -58.091 Base-Backbone interact. energy: -0.074 local terms energy: -63.898006 where: bonds (distance) C4'-P energy: -9.386 bonds (distance) P-C4' energy: -16.890 flat angles C4'-P-C4' energy: -10.188 flat angles P-C4'-P energy: -11.852 tors. eta vs tors. theta energy: -15.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 439 Temperature: 1.250000 Total energy: -175.008565 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.008565 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.008565 (E_RNA) where: Base-Base interactions energy: -116.863 where: short stacking energy: -44.917 Base-Backbone interact. energy: -0.409 local terms energy: -57.736166 where: bonds (distance) C4'-P energy: -14.449 bonds (distance) P-C4' energy: -11.849 flat angles C4'-P-C4' energy: -13.668 flat angles P-C4'-P energy: -8.731 tors. eta vs tors. theta energy: -9.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 439 Temperature: 1.300000 Total energy: -72.578329 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.578329 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.578329 (E_RNA) where: Base-Base interactions energy: -30.650 where: short stacking energy: -30.650 Base-Backbone interact. energy: -0.104 local terms energy: -41.824384 where: bonds (distance) C4'-P energy: -9.828 bonds (distance) P-C4' energy: -11.781 flat angles C4'-P-C4' energy: -2.789 flat angles P-C4'-P energy: -12.151 tors. eta vs tors. theta energy: -5.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 439 Temperature: 1.350000 Total energy: -74.241242 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.241242 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.241242 (E_RNA) where: Base-Base interactions energy: -30.973 where: short stacking energy: -28.408 Base-Backbone interact. energy: -0.046 local terms energy: -43.222191 where: bonds (distance) C4'-P energy: -6.422 bonds (distance) P-C4' energy: -14.230 flat angles C4'-P-C4' energy: -12.494 flat angles P-C4'-P energy: -3.480 tors. eta vs tors. theta energy: -6.596 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 440 Temperature: 0.900000 Total energy: -219.755814 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.755814 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.755814 (E_RNA) where: Base-Base interactions energy: -142.969 where: short stacking energy: -67.655 Base-Backbone interact. energy: -0.053 local terms energy: -76.733461 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -13.546 flat angles C4'-P-C4' energy: -17.039 flat angles P-C4'-P energy: -13.059 tors. eta vs tors. theta energy: -18.202 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: 440 Temperature: 0.950000 Total energy: -209.968093 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.968093 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.968093 (E_RNA) where: Base-Base interactions energy: -141.057 where: short stacking energy: -62.400 Base-Backbone interact. energy: -0.161 local terms energy: -68.749691 where: bonds (distance) C4'-P energy: -12.478 bonds (distance) P-C4' energy: -15.383 flat angles C4'-P-C4' energy: -14.901 flat angles P-C4'-P energy: -8.346 tors. eta vs tors. theta energy: -17.641 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 440 Temperature: 1.000000 Total energy: -206.103029 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.103029 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.103029 (E_RNA) where: Base-Base interactions energy: -135.658 where: short stacking energy: -60.524 Base-Backbone interact. energy: -0.067 local terms energy: -70.377997 where: bonds (distance) C4'-P energy: -15.128 bonds (distance) P-C4' energy: -15.192 flat angles C4'-P-C4' energy: -12.771 flat angles P-C4'-P energy: -10.063 tors. eta vs tors. theta energy: -17.223 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 440 Temperature: 1.050000 Total energy: -184.014473 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.014473 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.014473 (E_RNA) where: Base-Base interactions energy: -114.513 where: short stacking energy: -44.391 Base-Backbone interact. energy: -0.652 local terms energy: -68.848972 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -14.375 flat angles C4'-P-C4' energy: -13.686 flat angles P-C4'-P energy: -11.625 tors. eta vs tors. theta energy: -14.363 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: 5, replica: 6 ===================================== Write number: 440 Temperature: 1.100000 Total energy: -185.716468 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.716468 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.716468 (E_RNA) where: Base-Base interactions energy: -125.836 where: short stacking energy: -56.116 Base-Backbone interact. energy: -0.087 local terms energy: -59.793289 where: bonds (distance) C4'-P energy: -13.157 bonds (distance) P-C4' energy: -12.960 flat angles C4'-P-C4' energy: -11.949 flat angles P-C4'-P energy: -6.724 tors. eta vs tors. theta energy: -15.004 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 440 Temperature: 1.150000 Total energy: -175.331466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.331466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.331466 (E_RNA) where: Base-Base interactions energy: -114.463 where: short stacking energy: -50.765 Base-Backbone interact. energy: 0.153 local terms energy: -61.022033 where: bonds (distance) C4'-P energy: -13.075 bonds (distance) P-C4' energy: -13.911 flat angles C4'-P-C4' energy: -11.396 flat angles P-C4'-P energy: -10.330 tors. eta vs tors. theta energy: -12.310 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: 9 ===================================== Write number: 440 Temperature: 1.200000 Total energy: -172.362515 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.362515 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.362515 (E_RNA) where: Base-Base interactions energy: -109.979 where: short stacking energy: -53.098 Base-Backbone interact. energy: 1.313 local terms energy: -63.696257 where: bonds (distance) C4'-P energy: -11.438 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -13.770 flat angles P-C4'-P energy: -8.696 tors. eta vs tors. theta energy: -14.691 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: 8, replica: 7 ===================================== Write number: 440 Temperature: 1.250000 Total energy: -173.347052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.347052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.347052 (E_RNA) where: Base-Base interactions energy: -116.525 where: short stacking energy: -46.605 Base-Backbone interact. energy: -0.097 local terms energy: -56.725124 where: bonds (distance) C4'-P energy: -12.193 bonds (distance) P-C4' energy: -12.071 flat angles C4'-P-C4' energy: -14.057 flat angles P-C4'-P energy: -10.521 tors. eta vs tors. theta energy: -7.883 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 440 Temperature: 1.300000 Total energy: -72.718768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.718768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.718768 (E_RNA) where: Base-Base interactions energy: -23.265 where: short stacking energy: -23.265 Base-Backbone interact. energy: 1.917 local terms energy: -51.371100 where: bonds (distance) C4'-P energy: -14.516 bonds (distance) P-C4' energy: -10.549 flat angles C4'-P-C4' energy: -10.642 flat angles P-C4'-P energy: -10.890 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: 10, replica: 10 ===================================== Write number: 440 Temperature: 1.350000 Total energy: -69.551688 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.551688 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.551688 (E_RNA) where: Base-Base interactions energy: -31.612 where: short stacking energy: -24.920 Base-Backbone interact. energy: 2.792 local terms energy: -40.731430 where: bonds (distance) C4'-P energy: -13.012 bonds (distance) P-C4' energy: -15.770 flat angles C4'-P-C4' energy: -5.385 flat angles P-C4'-P energy: -4.657 tors. eta vs tors. theta energy: -1.908 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 441 Temperature: 0.900000 Total energy: -210.664158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.664158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.664158 (E_RNA) where: Base-Base interactions energy: -139.725 where: short stacking energy: -71.674 Base-Backbone interact. energy: -0.001 local terms energy: -70.938245 where: bonds (distance) C4'-P energy: -13.774 bonds (distance) P-C4' energy: -12.303 flat angles C4'-P-C4' energy: -15.696 flat angles P-C4'-P energy: -11.247 tors. eta vs tors. theta energy: -17.919 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 441 Temperature: 0.950000 Total energy: -211.496065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.496065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.496065 (E_RNA) where: Base-Base interactions energy: -137.921 where: short stacking energy: -62.874 Base-Backbone interact. energy: -0.069 local terms energy: -73.506007 where: bonds (distance) C4'-P energy: -13.603 bonds (distance) P-C4' energy: -15.526 flat angles C4'-P-C4' energy: -15.121 flat angles P-C4'-P energy: -11.530 tors. eta vs tors. theta energy: -17.726 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 441 Temperature: 1.000000 Total energy: -208.424478 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.424478 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.424478 (E_RNA) where: Base-Base interactions energy: -140.445 where: short stacking energy: -74.183 Base-Backbone interact. energy: -0.001 local terms energy: -67.977859 where: bonds (distance) C4'-P energy: -13.282 bonds (distance) P-C4' energy: -14.589 flat angles C4'-P-C4' energy: -12.645 flat angles P-C4'-P energy: -6.121 tors. eta vs tors. theta energy: -21.340 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 441 Temperature: 1.050000 Total energy: -204.300234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.300234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.300234 (E_RNA) where: Base-Base interactions energy: -135.400 where: short stacking energy: -60.255 Base-Backbone interact. energy: -0.002 local terms energy: -68.898526 where: bonds (distance) C4'-P energy: -14.693 bonds (distance) P-C4' energy: -15.199 flat angles C4'-P-C4' energy: -12.367 flat angles P-C4'-P energy: -7.862 tors. eta vs tors. theta energy: -18.777 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: 5, replica: 6 ===================================== Write number: 441 Temperature: 1.100000 Total energy: -190.618250 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.618250 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.618250 (E_RNA) where: Base-Base interactions energy: -127.756 where: short stacking energy: -60.765 Base-Backbone interact. energy: -0.041 local terms energy: -62.820882 where: bonds (distance) C4'-P energy: -11.444 bonds (distance) P-C4' energy: -10.789 flat angles C4'-P-C4' energy: -12.724 flat angles P-C4'-P energy: -8.749 tors. eta vs tors. theta energy: -19.115 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 441 Temperature: 1.150000 Total energy: -180.471642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.471642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.471642 (E_RNA) where: Base-Base interactions energy: -112.853 where: short stacking energy: -56.097 Base-Backbone interact. energy: -0.018 local terms energy: -67.600761 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -8.410 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -13.753 tors. eta vs tors. theta energy: -15.287 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: 3 ===================================== Write number: 441 Temperature: 1.200000 Total energy: -183.040777 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.040777 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.040777 (E_RNA) where: Base-Base interactions energy: -124.997 where: short stacking energy: -58.279 Base-Backbone interact. energy: -0.001 local terms energy: -58.042608 where: bonds (distance) C4'-P energy: -8.687 bonds (distance) P-C4' energy: -12.861 flat angles C4'-P-C4' energy: -10.771 flat angles P-C4'-P energy: -6.957 tors. eta vs tors. theta energy: -18.767 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: 7 ===================================== Write number: 441 Temperature: 1.250000 Total energy: -175.813414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.813414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.813414 (E_RNA) where: Base-Base interactions energy: -115.235 where: short stacking energy: -49.987 Base-Backbone interact. energy: -0.017 local terms energy: -60.561347 where: bonds (distance) C4'-P energy: -10.367 bonds (distance) P-C4' energy: -13.310 flat angles C4'-P-C4' energy: -12.348 flat angles P-C4'-P energy: -9.835 tors. eta vs tors. theta energy: -14.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 441 Temperature: 1.300000 Total energy: -71.780219 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.780219 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.780219 (E_RNA) where: Base-Base interactions energy: -26.204 where: short stacking energy: -26.204 Base-Backbone interact. energy: 2.625 local terms energy: -48.200676 where: bonds (distance) C4'-P energy: -12.233 bonds (distance) P-C4' energy: -14.874 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -9.476 tors. eta vs tors. theta energy: 0.949 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 441 Temperature: 1.350000 Total energy: -75.936410 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.936410 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.936410 (E_RNA) where: Base-Base interactions energy: -29.790 where: short stacking energy: -29.457 Base-Backbone interact. energy: 1.763 local terms energy: -47.909367 where: bonds (distance) C4'-P energy: -14.010 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -10.476 flat angles P-C4'-P energy: -6.344 tors. eta vs tors. theta energy: -2.706 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 442 Temperature: 0.900000 Total energy: -214.036256 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.036256 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.036256 (E_RNA) where: Base-Base interactions energy: -143.472 where: short stacking energy: -67.280 Base-Backbone interact. energy: -0.001 local terms energy: -70.563167 where: bonds (distance) C4'-P energy: -11.256 bonds (distance) P-C4' energy: -15.519 flat angles C4'-P-C4' energy: -13.441 flat angles P-C4'-P energy: -9.057 tors. eta vs tors. theta energy: -21.290 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 442 Temperature: 0.950000 Total energy: -205.427723 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.427723 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.427723 (E_RNA) where: Base-Base interactions energy: -135.293 where: short stacking energy: -63.561 Base-Backbone interact. energy: -0.006 local terms energy: -70.128689 where: bonds (distance) C4'-P energy: -13.360 bonds (distance) P-C4' energy: -15.970 flat angles C4'-P-C4' energy: -12.537 flat angles P-C4'-P energy: -7.140 tors. eta vs tors. theta energy: -21.122 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 442 Temperature: 1.000000 Total energy: -199.269822 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.269822 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.269822 (E_RNA) where: Base-Base interactions energy: -131.719 where: short stacking energy: -62.167 Base-Backbone interact. energy: -0.039 local terms energy: -67.511825 where: bonds (distance) C4'-P energy: -13.340 bonds (distance) P-C4' energy: -11.693 flat angles C4'-P-C4' energy: -15.762 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: -17.787 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 442 Temperature: 1.050000 Total energy: -189.564497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.564497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.564497 (E_RNA) where: Base-Base interactions energy: -128.080 where: short stacking energy: -59.506 Base-Backbone interact. energy: -0.029 local terms energy: -61.455613 where: bonds (distance) C4'-P energy: -9.915 bonds (distance) P-C4' energy: -13.291 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -9.934 tors. eta vs tors. theta energy: -13.186 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 442 Temperature: 1.100000 Total energy: -179.559211 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.559211 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.559211 (E_RNA) where: Base-Base interactions energy: -117.242 where: short stacking energy: -50.952 Base-Backbone interact. energy: 0.039 local terms energy: -62.356710 where: bonds (distance) C4'-P energy: -14.470 bonds (distance) P-C4' energy: -11.737 flat angles C4'-P-C4' energy: -11.283 flat angles P-C4'-P energy: -9.375 tors. eta vs tors. theta energy: -15.492 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 442 Temperature: 1.150000 Total energy: -187.050561 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.050561 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.050561 (E_RNA) where: Base-Base interactions energy: -124.142 where: short stacking energy: -52.697 Base-Backbone interact. energy: -0.116 local terms energy: -62.791989 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -12.988 flat angles C4'-P-C4' energy: -13.593 flat angles P-C4'-P energy: -7.420 tors. eta vs tors. theta energy: -15.476 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 442 Temperature: 1.200000 Total energy: -183.696683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.696683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.696683 (E_RNA) where: Base-Base interactions energy: -122.957 where: short stacking energy: -61.383 Base-Backbone interact. energy: -0.002 local terms energy: -60.738101 where: bonds (distance) C4'-P energy: -6.786 bonds (distance) P-C4' energy: -12.554 flat angles C4'-P-C4' energy: -13.358 flat angles P-C4'-P energy: -9.431 tors. eta vs tors. theta energy: -18.608 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 442 Temperature: 1.250000 Total energy: -170.511399 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.511399 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.511399 (E_RNA) where: Base-Base interactions energy: -117.090 where: short stacking energy: -50.492 Base-Backbone interact. energy: -0.002 local terms energy: -53.419172 where: bonds (distance) C4'-P energy: -8.211 bonds (distance) P-C4' energy: -10.567 flat angles C4'-P-C4' energy: -9.868 flat angles P-C4'-P energy: -9.284 tors. eta vs tors. theta energy: -15.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 442 Temperature: 1.300000 Total energy: -78.253222 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.253222 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.253222 (E_RNA) where: Base-Base interactions energy: -29.012 where: short stacking energy: -29.012 Base-Backbone interact. energy: -0.212 local terms energy: -49.028956 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -9.313 flat angles C4'-P-C4' energy: -11.249 flat angles P-C4'-P energy: -8.180 tors. eta vs tors. theta energy: -5.826 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 442 Temperature: 1.350000 Total energy: -81.047738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.047738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.047738 (E_RNA) where: Base-Base interactions energy: -27.240 where: short stacking energy: -25.998 Base-Backbone interact. energy: -0.209 local terms energy: -53.598550 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -13.399 flat angles C4'-P-C4' energy: -11.509 flat angles P-C4'-P energy: -12.481 tors. eta vs tors. theta energy: -3.161 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 443 Temperature: 0.900000 Total energy: -210.885262 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.885262 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.885262 (E_RNA) where: Base-Base interactions energy: -141.761 where: short stacking energy: -63.526 Base-Backbone interact. energy: 1.620 local terms energy: -70.744927 where: bonds (distance) C4'-P energy: -11.568 bonds (distance) P-C4' energy: -14.966 flat angles C4'-P-C4' energy: -14.794 flat angles P-C4'-P energy: -9.691 tors. eta vs tors. theta energy: -19.725 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 443 Temperature: 0.950000 Total energy: -215.535891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.535891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.535891 (E_RNA) where: Base-Base interactions energy: -140.903 where: short stacking energy: -65.052 Base-Backbone interact. energy: 0.519 local terms energy: -75.151517 where: bonds (distance) C4'-P energy: -14.105 bonds (distance) P-C4' energy: -15.448 flat angles C4'-P-C4' energy: -14.637 flat angles P-C4'-P energy: -11.621 tors. eta vs tors. theta energy: -19.341 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 443 Temperature: 1.000000 Total energy: -191.642278 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.642278 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.642278 (E_RNA) where: Base-Base interactions energy: -124.334 where: short stacking energy: -58.462 Base-Backbone interact. energy: -0.534 local terms energy: -66.774023 where: bonds (distance) C4'-P energy: -15.235 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -10.551 flat angles P-C4'-P energy: -12.239 tors. eta vs tors. theta energy: -13.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 443 Temperature: 1.050000 Total energy: -197.604456 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.604456 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.604456 (E_RNA) where: Base-Base interactions energy: -135.103 where: short stacking energy: -60.242 Base-Backbone interact. energy: -0.739 local terms energy: -61.763056 where: bonds (distance) C4'-P energy: -14.585 bonds (distance) P-C4' energy: -11.445 flat angles C4'-P-C4' energy: -13.780 flat angles P-C4'-P energy: -9.002 tors. eta vs tors. theta energy: -12.952 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: 9 ===================================== Write number: 443 Temperature: 1.100000 Total energy: -176.490085 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.490085 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.490085 (E_RNA) where: Base-Base interactions energy: -120.796 where: short stacking energy: -54.403 Base-Backbone interact. energy: 2.824 local terms energy: -58.517731 where: bonds (distance) C4'-P energy: -11.111 bonds (distance) P-C4' energy: -14.047 flat angles C4'-P-C4' energy: -14.612 flat angles P-C4'-P energy: -6.727 tors. eta vs tors. theta energy: -12.020 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: 7 ===================================== Write number: 443 Temperature: 1.150000 Total energy: -179.127943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.127943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.127943 (E_RNA) where: Base-Base interactions energy: -119.894 where: short stacking energy: -46.409 Base-Backbone interact. energy: -0.022 local terms energy: -59.211806 where: bonds (distance) C4'-P energy: -9.571 bonds (distance) P-C4' energy: -10.954 flat angles C4'-P-C4' energy: -12.803 flat angles P-C4'-P energy: -9.613 tors. eta vs tors. theta energy: -16.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 443 Temperature: 1.200000 Total energy: -182.689436 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.689436 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.689436 (E_RNA) where: Base-Base interactions energy: -121.159 where: short stacking energy: -49.726 Base-Backbone interact. energy: -0.159 local terms energy: -61.371143 where: bonds (distance) C4'-P energy: -9.114 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -10.086 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -17.293 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 443 Temperature: 1.250000 Total energy: -172.746601 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.746601 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.746601 (E_RNA) where: Base-Base interactions energy: -113.017 where: short stacking energy: -51.754 Base-Backbone interact. energy: -0.033 local terms energy: -59.696737 where: bonds (distance) C4'-P energy: -10.567 bonds (distance) P-C4' energy: -11.144 flat angles C4'-P-C4' energy: -11.019 flat angles P-C4'-P energy: -11.864 tors. eta vs tors. theta energy: -15.102 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: 9, replica: 8 ===================================== Write number: 443 Temperature: 1.300000 Total energy: -72.424654 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.424654 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.424654 (E_RNA) where: Base-Base interactions energy: -25.788 where: short stacking energy: -23.708 Base-Backbone interact. energy: -0.227 local terms energy: -46.409537 where: bonds (distance) C4'-P energy: -12.154 bonds (distance) P-C4' energy: -13.475 flat angles C4'-P-C4' energy: -13.134 flat angles P-C4'-P energy: -9.226 tors. eta vs tors. theta energy: 1.579 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 443 Temperature: 1.350000 Total energy: -65.377165 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -65.377165 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -65.377165 (E_RNA) where: Base-Base interactions energy: -25.014 where: short stacking energy: -25.014 Base-Backbone interact. energy: -0.088 local terms energy: -40.275130 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -8.255 flat angles C4'-P-C4' energy: -5.469 flat angles P-C4'-P energy: -8.112 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: 1, replica: 5 ===================================== Write number: 444 Temperature: 0.900000 Total energy: -212.095500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.095500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.095500 (E_RNA) where: Base-Base interactions energy: -143.322 where: short stacking energy: -70.416 Base-Backbone interact. energy: -0.003 local terms energy: -68.770595 where: bonds (distance) C4'-P energy: -12.565 bonds (distance) P-C4' energy: -16.604 flat angles C4'-P-C4' energy: -11.200 flat angles P-C4'-P energy: -8.534 tors. eta vs tors. theta energy: -19.868 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: 4 ===================================== Write number: 444 Temperature: 0.950000 Total energy: -204.656740 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.656740 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.656740 (E_RNA) where: Base-Base interactions energy: -135.450 where: short stacking energy: -62.350 Base-Backbone interact. energy: -0.093 local terms energy: -69.113704 where: bonds (distance) C4'-P energy: -13.628 bonds (distance) P-C4' energy: -13.454 flat angles C4'-P-C4' energy: -14.675 flat angles P-C4'-P energy: -9.107 tors. eta vs tors. theta energy: -18.250 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 444 Temperature: 1.000000 Total energy: -190.449957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.449957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.449957 (E_RNA) where: Base-Base interactions energy: -131.303 where: short stacking energy: -58.776 Base-Backbone interact. energy: -0.296 local terms energy: -58.850012 where: bonds (distance) C4'-P energy: -9.380 bonds (distance) P-C4' energy: -15.787 flat angles C4'-P-C4' energy: -10.630 flat angles P-C4'-P energy: -9.238 tors. eta vs tors. theta energy: -13.815 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 444 Temperature: 1.050000 Total energy: -184.616606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.616606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.616606 (E_RNA) where: Base-Base interactions energy: -117.370 where: short stacking energy: -57.837 Base-Backbone interact. energy: -0.041 local terms energy: -67.205163 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -14.360 flat angles C4'-P-C4' energy: -12.500 flat angles P-C4'-P energy: -9.740 tors. eta vs tors. theta energy: -16.214 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 444 Temperature: 1.100000 Total energy: -183.549533 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.549533 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.549533 (E_RNA) where: Base-Base interactions energy: -117.913 where: short stacking energy: -53.692 Base-Backbone interact. energy: -0.006 local terms energy: -65.631339 where: bonds (distance) C4'-P energy: -13.443 bonds (distance) P-C4' energy: -16.833 flat angles C4'-P-C4' energy: -13.632 flat angles P-C4'-P energy: -7.178 tors. eta vs tors. theta energy: -14.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 444 Temperature: 1.150000 Total energy: -194.464367 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.464367 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.464367 (E_RNA) where: Base-Base interactions energy: -127.106 where: short stacking energy: -55.450 Base-Backbone interact. energy: -0.003 local terms energy: -67.355537 where: bonds (distance) C4'-P energy: -9.812 bonds (distance) P-C4' energy: -14.645 flat angles C4'-P-C4' energy: -14.290 flat angles P-C4'-P energy: -9.388 tors. eta vs tors. theta energy: -19.221 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 444 Temperature: 1.200000 Total energy: -165.097923 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.097923 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.097923 (E_RNA) where: Base-Base interactions energy: -116.295 where: short stacking energy: -49.238 Base-Backbone interact. energy: -0.003 local terms energy: -48.799955 where: bonds (distance) C4'-P energy: -12.180 bonds (distance) P-C4' energy: -7.214 flat angles C4'-P-C4' energy: -12.936 flat angles P-C4'-P energy: -8.535 tors. eta vs tors. theta energy: -7.935 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 444 Temperature: 1.250000 Total energy: -167.630442 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.630442 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.630442 (E_RNA) where: Base-Base interactions energy: -113.447 where: short stacking energy: -54.202 Base-Backbone interact. energy: -0.003 local terms energy: -54.180163 where: bonds (distance) C4'-P energy: -11.381 bonds (distance) P-C4' energy: -14.156 flat angles C4'-P-C4' energy: -12.503 flat angles P-C4'-P energy: -6.260 tors. eta vs tors. theta energy: -9.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 444 Temperature: 1.300000 Total energy: -73.485633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.485633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.485633 (E_RNA) where: Base-Base interactions energy: -22.262 where: short stacking energy: -22.262 Base-Backbone interact. energy: -0.101 local terms energy: -51.122299 where: bonds (distance) C4'-P energy: -12.912 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -11.395 flat angles P-C4'-P energy: -7.066 tors. eta vs tors. theta energy: -5.107 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 444 Temperature: 1.350000 Total energy: -71.469921 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.469921 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.469921 (E_RNA) where: Base-Base interactions energy: -34.905 where: short stacking energy: -29.925 Base-Backbone interact. energy: 1.184 local terms energy: -37.748656 where: bonds (distance) C4'-P energy: -7.501 bonds (distance) P-C4' energy: -11.666 flat angles C4'-P-C4' energy: -12.623 flat angles P-C4'-P energy: -6.029 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: 5 ===================================== Write number: 445 Temperature: 0.900000 Total energy: -212.555337 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.555337 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.555337 (E_RNA) where: Base-Base interactions energy: -140.392 where: short stacking energy: -64.317 Base-Backbone interact. energy: -0.011 local terms energy: -72.151700 where: bonds (distance) C4'-P energy: -15.856 bonds (distance) P-C4' energy: -13.163 flat angles C4'-P-C4' energy: -14.462 flat angles P-C4'-P energy: -9.743 tors. eta vs tors. theta energy: -18.927 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: 4 ===================================== Write number: 445 Temperature: 0.950000 Total energy: -208.172518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.172518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.172518 (E_RNA) where: Base-Base interactions energy: -139.486 where: short stacking energy: -62.605 Base-Backbone interact. energy: -0.040 local terms energy: -68.646236 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -14.066 flat angles C4'-P-C4' energy: -14.802 flat angles P-C4'-P energy: -10.415 tors. eta vs tors. theta energy: -16.595 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 445 Temperature: 1.000000 Total energy: -197.862939 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.862939 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.862939 (E_RNA) where: Base-Base interactions energy: -128.350 where: short stacking energy: -59.371 Base-Backbone interact. energy: -0.037 local terms energy: -69.475946 where: bonds (distance) C4'-P energy: -14.089 bonds (distance) P-C4' energy: -15.531 flat angles C4'-P-C4' energy: -15.432 flat angles P-C4'-P energy: -10.977 tors. eta vs tors. theta energy: -13.448 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 445 Temperature: 1.050000 Total energy: -186.091187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.091187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.091187 (E_RNA) where: Base-Base interactions energy: -121.389 where: short stacking energy: -50.232 Base-Backbone interact. energy: -0.185 local terms energy: -64.516803 where: bonds (distance) C4'-P energy: -13.278 bonds (distance) P-C4' energy: -15.101 flat angles C4'-P-C4' energy: -12.405 flat angles P-C4'-P energy: -8.434 tors. eta vs tors. theta energy: -15.300 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 445 Temperature: 1.100000 Total energy: -186.792501 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.792501 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.792501 (E_RNA) where: Base-Base interactions energy: -127.137 where: short stacking energy: -64.079 Base-Backbone interact. energy: -0.376 local terms energy: -59.279863 where: bonds (distance) C4'-P energy: -11.265 bonds (distance) P-C4' energy: -12.483 flat angles C4'-P-C4' energy: -11.826 flat angles P-C4'-P energy: -8.910 tors. eta vs tors. theta energy: -14.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 445 Temperature: 1.150000 Total energy: -179.138865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.138865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.138865 (E_RNA) where: Base-Base interactions energy: -111.933 where: short stacking energy: -51.539 Base-Backbone interact. energy: -0.132 local terms energy: -67.074122 where: bonds (distance) C4'-P energy: -13.049 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -13.814 flat angles P-C4'-P energy: -10.304 tors. eta vs tors. theta energy: -15.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 445 Temperature: 1.200000 Total energy: -168.174898 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.174898 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.174898 (E_RNA) where: Base-Base interactions energy: -105.884 where: short stacking energy: -47.051 Base-Backbone interact. energy: -0.162 local terms energy: -62.129339 where: bonds (distance) C4'-P energy: -14.639 bonds (distance) P-C4' energy: -15.060 flat angles C4'-P-C4' energy: -13.049 flat angles P-C4'-P energy: -8.250 tors. eta vs tors. theta energy: -11.131 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 445 Temperature: 1.250000 Total energy: -179.899387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.899387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.899387 (E_RNA) where: Base-Base interactions energy: -118.070 where: short stacking energy: -48.312 Base-Backbone interact. energy: -0.009 local terms energy: -61.820306 where: bonds (distance) C4'-P energy: -9.964 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -16.964 flat angles P-C4'-P energy: -5.657 tors. eta vs tors. theta energy: -16.746 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 445 Temperature: 1.300000 Total energy: -69.347638 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.347638 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.347638 (E_RNA) where: Base-Base interactions energy: -25.782 where: short stacking energy: -25.782 Base-Backbone interact. energy: 3.492 local terms energy: -47.057723 where: bonds (distance) C4'-P energy: -8.602 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -8.654 tors. eta vs tors. theta energy: -5.028 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 445 Temperature: 1.350000 Total energy: -80.167687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.167687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.167687 (E_RNA) where: Base-Base interactions energy: -45.934 where: short stacking energy: -34.721 Base-Backbone interact. energy: -0.211 local terms energy: -34.023061 where: bonds (distance) C4'-P energy: -6.589 bonds (distance) P-C4' energy: -11.662 flat angles C4'-P-C4' energy: -9.366 flat angles P-C4'-P energy: -2.268 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: 5 ===================================== Write number: 446 Temperature: 0.900000 Total energy: -207.217447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.217447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.217447 (E_RNA) where: Base-Base interactions energy: -136.042 where: short stacking energy: -68.870 Base-Backbone interact. energy: -0.000 local terms energy: -71.174952 where: bonds (distance) C4'-P energy: -11.736 bonds (distance) P-C4' energy: -11.284 flat angles C4'-P-C4' energy: -16.243 flat angles P-C4'-P energy: -10.875 tors. eta vs tors. theta energy: -21.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 446 Temperature: 0.950000 Total energy: -199.949336 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.949336 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.949336 (E_RNA) where: Base-Base interactions energy: -133.219 where: short stacking energy: -66.775 Base-Backbone interact. energy: -0.006 local terms energy: -66.724199 where: bonds (distance) C4'-P energy: -13.753 bonds (distance) P-C4' energy: -12.417 flat angles C4'-P-C4' energy: -14.039 flat angles P-C4'-P energy: -9.891 tors. eta vs tors. theta energy: -16.624 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 446 Temperature: 1.000000 Total energy: -214.013286 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.013286 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.013286 (E_RNA) where: Base-Base interactions energy: -139.232 where: short stacking energy: -65.238 Base-Backbone interact. energy: -0.092 local terms energy: -74.689746 where: bonds (distance) C4'-P energy: -15.608 bonds (distance) P-C4' energy: -16.658 flat angles C4'-P-C4' energy: -13.464 flat angles P-C4'-P energy: -11.084 tors. eta vs tors. theta energy: -17.875 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 446 Temperature: 1.050000 Total energy: -204.398439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.398439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.398439 (E_RNA) where: Base-Base interactions energy: -134.809 where: short stacking energy: -65.755 Base-Backbone interact. energy: -0.003 local terms energy: -69.586842 where: bonds (distance) C4'-P energy: -13.203 bonds (distance) P-C4' energy: -16.171 flat angles C4'-P-C4' energy: -13.220 flat angles P-C4'-P energy: -10.021 tors. eta vs tors. theta energy: -16.972 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: 5, replica: 6 ===================================== Write number: 446 Temperature: 1.100000 Total energy: -195.631223 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.631223 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.631223 (E_RNA) where: Base-Base interactions energy: -128.136 where: short stacking energy: -50.556 Base-Backbone interact. energy: -0.651 local terms energy: -66.844776 where: bonds (distance) C4'-P energy: -10.889 bonds (distance) P-C4' energy: -12.947 flat angles C4'-P-C4' energy: -15.362 flat angles P-C4'-P energy: -11.076 tors. eta vs tors. theta energy: -16.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 446 Temperature: 1.150000 Total energy: -185.464352 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.464352 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.464352 (E_RNA) where: Base-Base interactions energy: -121.784 where: short stacking energy: -49.461 Base-Backbone interact. energy: -0.826 local terms energy: -62.854772 where: bonds (distance) C4'-P energy: -10.867 bonds (distance) P-C4' energy: -12.729 flat angles C4'-P-C4' energy: -14.692 flat angles P-C4'-P energy: -9.010 tors. eta vs tors. theta energy: -15.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 446 Temperature: 1.200000 Total energy: -175.182950 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.182950 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.182950 (E_RNA) where: Base-Base interactions energy: -110.862 where: short stacking energy: -45.874 Base-Backbone interact. energy: -0.588 local terms energy: -63.733126 where: bonds (distance) C4'-P energy: -14.581 bonds (distance) P-C4' energy: -15.034 flat angles C4'-P-C4' energy: -15.067 flat angles P-C4'-P energy: -9.350 tors. eta vs tors. theta energy: -9.702 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 446 Temperature: 1.250000 Total energy: -165.094313 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.094313 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.094313 (E_RNA) where: Base-Base interactions energy: -106.257 where: short stacking energy: -41.409 Base-Backbone interact. energy: -0.330 local terms energy: -58.507505 where: bonds (distance) C4'-P energy: -13.794 bonds (distance) P-C4' energy: -16.371 flat angles C4'-P-C4' energy: -11.182 flat angles P-C4'-P energy: -4.177 tors. eta vs tors. theta energy: -12.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 446 Temperature: 1.300000 Total energy: -76.970602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.970602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.970602 (E_RNA) where: Base-Base interactions energy: -34.628 where: short stacking energy: -10.515 Base-Backbone interact. energy: -0.101 local terms energy: -42.242034 where: bonds (distance) C4'-P energy: -8.971 bonds (distance) P-C4' energy: -11.735 flat angles C4'-P-C4' energy: -11.772 flat angles P-C4'-P energy: -5.243 tors. eta vs tors. theta energy: -4.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 446 Temperature: 1.350000 Total energy: -95.283324 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -95.283324 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -95.283324 (E_RNA) where: Base-Base interactions energy: -41.264 where: short stacking energy: -41.264 Base-Backbone interact. energy: -0.032 local terms energy: -53.986448 where: bonds (distance) C4'-P energy: -8.393 bonds (distance) P-C4' energy: -13.669 flat angles C4'-P-C4' energy: -10.298 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -10.646 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: 447 Temperature: 0.900000 Total energy: -207.414832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.414832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.414832 (E_RNA) where: Base-Base interactions energy: -134.228 where: short stacking energy: -66.151 Base-Backbone interact. energy: -0.049 local terms energy: -73.138439 where: bonds (distance) C4'-P energy: -13.961 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -15.295 flat angles P-C4'-P energy: -10.788 tors. eta vs tors. theta energy: -20.577 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 447 Temperature: 0.950000 Total energy: -201.773776 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.773776 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.773776 (E_RNA) where: Base-Base interactions energy: -126.972 where: short stacking energy: -59.420 Base-Backbone interact. energy: -0.009 local terms energy: -74.793279 where: bonds (distance) C4'-P energy: -15.493 bonds (distance) P-C4' energy: -15.463 flat angles C4'-P-C4' energy: -13.002 flat angles P-C4'-P energy: -12.311 tors. eta vs tors. theta energy: -18.525 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 447 Temperature: 1.000000 Total energy: -193.451588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.451588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.451588 (E_RNA) where: Base-Base interactions energy: -123.815 where: short stacking energy: -64.155 Base-Backbone interact. energy: -0.020 local terms energy: -69.616494 where: bonds (distance) C4'-P energy: -14.884 bonds (distance) P-C4' energy: -13.433 flat angles C4'-P-C4' energy: -11.762 flat angles P-C4'-P energy: -12.882 tors. eta vs tors. theta energy: -16.656 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 447 Temperature: 1.050000 Total energy: -201.447594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.447594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.447594 (E_RNA) where: Base-Base interactions energy: -130.702 where: short stacking energy: -63.452 Base-Backbone interact. energy: -0.105 local terms energy: -70.640410 where: bonds (distance) C4'-P energy: -13.563 bonds (distance) P-C4' energy: -16.144 flat angles C4'-P-C4' energy: -13.272 flat angles P-C4'-P energy: -8.718 tors. eta vs tors. theta energy: -18.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 447 Temperature: 1.100000 Total energy: -169.281993 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.281993 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.281993 (E_RNA) where: Base-Base interactions energy: -114.068 where: short stacking energy: -49.407 Base-Backbone interact. energy: -0.055 local terms energy: -55.158831 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -15.938 flat angles C4'-P-C4' energy: -12.286 flat angles P-C4'-P energy: -8.775 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: 6, replica: 3 ===================================== Write number: 447 Temperature: 1.150000 Total energy: -184.893557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.893557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.893557 (E_RNA) where: Base-Base interactions energy: -118.619 where: short stacking energy: -55.368 Base-Backbone interact. energy: 0.206 local terms energy: -66.480046 where: bonds (distance) C4'-P energy: -11.179 bonds (distance) P-C4' energy: -15.846 flat angles C4'-P-C4' energy: -12.893 flat angles P-C4'-P energy: -10.537 tors. eta vs tors. theta energy: -16.025 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 447 Temperature: 1.200000 Total energy: -165.147999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.147999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.147999 (E_RNA) where: Base-Base interactions energy: -117.644 where: short stacking energy: -52.600 Base-Backbone interact. energy: -0.112 local terms energy: -47.392092 where: bonds (distance) C4'-P energy: -9.895 bonds (distance) P-C4' energy: -12.443 flat angles C4'-P-C4' energy: -7.750 flat angles P-C4'-P energy: -5.333 tors. eta vs tors. theta energy: -11.972 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 447 Temperature: 1.250000 Total energy: -164.067753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.067753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.067753 (E_RNA) where: Base-Base interactions energy: -114.188 where: short stacking energy: -48.551 Base-Backbone interact. energy: -0.478 local terms energy: -49.401700 where: bonds (distance) C4'-P energy: -10.285 bonds (distance) P-C4' energy: -9.493 flat angles C4'-P-C4' energy: -12.513 flat angles P-C4'-P energy: -8.907 tors. eta vs tors. theta energy: -8.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 447 Temperature: 1.300000 Total energy: -84.848569 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.848569 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.848569 (E_RNA) where: Base-Base interactions energy: -37.204 where: short stacking energy: -37.204 Base-Backbone interact. energy: -0.391 local terms energy: -47.253609 where: bonds (distance) C4'-P energy: -11.583 bonds (distance) P-C4' energy: -14.128 flat angles C4'-P-C4' energy: -10.590 flat angles P-C4'-P energy: -5.560 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: 10, replica: 10 ===================================== Write number: 447 Temperature: 1.350000 Total energy: -72.571595 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.571595 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.571595 (E_RNA) where: Base-Base interactions energy: -29.221 where: short stacking energy: -26.076 Base-Backbone interact. energy: -1.207 local terms energy: -42.143191 where: bonds (distance) C4'-P energy: -8.570 bonds (distance) P-C4' energy: -13.003 flat angles C4'-P-C4' energy: -10.109 flat angles P-C4'-P energy: -7.274 tors. eta vs tors. theta energy: -3.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 448 Temperature: 0.900000 Total energy: -205.223273 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.223273 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.223273 (E_RNA) where: Base-Base interactions energy: -135.613 where: short stacking energy: -58.363 Base-Backbone interact. energy: -0.305 local terms energy: -69.305531 where: bonds (distance) C4'-P energy: -14.313 bonds (distance) P-C4' energy: -17.116 flat angles C4'-P-C4' energy: -12.676 flat angles P-C4'-P energy: -10.584 tors. eta vs tors. theta energy: -14.617 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 448 Temperature: 0.950000 Total energy: -205.304563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.304563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.304563 (E_RNA) where: Base-Base interactions energy: -136.813 where: short stacking energy: -60.022 Base-Backbone interact. energy: -0.116 local terms energy: -68.375938 where: bonds (distance) C4'-P energy: -14.291 bonds (distance) P-C4' energy: -13.467 flat angles C4'-P-C4' energy: -13.478 flat angles P-C4'-P energy: -12.292 tors. eta vs tors. theta energy: -14.848 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 448 Temperature: 1.000000 Total energy: -199.085811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.085811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.085811 (E_RNA) where: Base-Base interactions energy: -127.099 where: short stacking energy: -57.908 Base-Backbone interact. energy: -0.001 local terms energy: -71.984906 where: bonds (distance) C4'-P energy: -13.109 bonds (distance) P-C4' energy: -15.025 flat angles C4'-P-C4' energy: -15.195 flat angles P-C4'-P energy: -10.599 tors. eta vs tors. theta energy: -18.057 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 448 Temperature: 1.050000 Total energy: -198.455500 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.455500 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.455500 (E_RNA) where: Base-Base interactions energy: -136.936 where: short stacking energy: -62.296 Base-Backbone interact. energy: -0.001 local terms energy: -61.518542 where: bonds (distance) C4'-P energy: -9.953 bonds (distance) P-C4' energy: -14.377 flat angles C4'-P-C4' energy: -10.326 flat angles P-C4'-P energy: -7.754 tors. eta vs tors. theta energy: -19.109 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: 3 ===================================== Write number: 448 Temperature: 1.100000 Total energy: -190.502558 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.502558 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.502558 (E_RNA) where: Base-Base interactions energy: -120.075 where: short stacking energy: -62.527 Base-Backbone interact. energy: 0.691 local terms energy: -71.118660 where: bonds (distance) C4'-P energy: -15.140 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -15.368 flat angles P-C4'-P energy: -7.751 tors. eta vs tors. theta energy: -17.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 448 Temperature: 1.150000 Total energy: -192.591631 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.591631 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.591631 (E_RNA) where: Base-Base interactions energy: -122.770 where: short stacking energy: -60.378 Base-Backbone interact. energy: -0.024 local terms energy: -69.797713 where: bonds (distance) C4'-P energy: -12.623 bonds (distance) P-C4' energy: -14.242 flat angles C4'-P-C4' energy: -11.388 flat angles P-C4'-P energy: -13.958 tors. eta vs tors. theta energy: -17.586 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 448 Temperature: 1.200000 Total energy: -172.441582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.441582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.441582 (E_RNA) where: Base-Base interactions energy: -121.287 where: short stacking energy: -54.921 Base-Backbone interact. energy: -0.293 local terms energy: -50.861923 where: bonds (distance) C4'-P energy: -8.844 bonds (distance) P-C4' energy: -15.323 flat angles C4'-P-C4' energy: -7.712 flat angles P-C4'-P energy: -8.023 tors. eta vs tors. theta energy: -10.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 448 Temperature: 1.250000 Total energy: -168.524141 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.524141 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.524141 (E_RNA) where: Base-Base interactions energy: -119.438 where: short stacking energy: -56.159 Base-Backbone interact. energy: -0.005 local terms energy: -49.080616 where: bonds (distance) C4'-P energy: -11.734 bonds (distance) P-C4' energy: -7.084 flat angles C4'-P-C4' energy: -12.899 flat angles P-C4'-P energy: -3.769 tors. eta vs tors. theta energy: -13.594 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: 448 Temperature: 1.300000 Total energy: -84.046218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.046218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.046218 (E_RNA) where: Base-Base interactions energy: -32.263 where: short stacking energy: -30.273 Base-Backbone interact. energy: -0.171 local terms energy: -51.612237 where: bonds (distance) C4'-P energy: -13.613 bonds (distance) P-C4' energy: -15.248 flat angles C4'-P-C4' energy: -12.525 flat angles P-C4'-P energy: -6.525 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: 10, replica: 8 ===================================== Write number: 448 Temperature: 1.350000 Total energy: -74.024446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.024446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.024446 (E_RNA) where: Base-Base interactions energy: -34.393 where: short stacking energy: -21.079 Base-Backbone interact. energy: 0.580 local terms energy: -40.211561 where: bonds (distance) C4'-P energy: -7.534 bonds (distance) P-C4' energy: -11.626 flat angles C4'-P-C4' energy: -7.048 flat angles P-C4'-P energy: -8.154 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: 1, replica: 2 ===================================== Write number: 449 Temperature: 0.900000 Total energy: -206.413111 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.413111 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.413111 (E_RNA) where: Base-Base interactions energy: -137.119 where: short stacking energy: -62.120 Base-Backbone interact. energy: -0.016 local terms energy: -69.278263 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -16.196 flat angles C4'-P-C4' energy: -14.556 flat angles P-C4'-P energy: -10.001 tors. eta vs tors. theta energy: -16.081 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: 7 ===================================== Write number: 449 Temperature: 0.950000 Total energy: -207.890636 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.890636 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.890636 (E_RNA) where: Base-Base interactions energy: -142.584 where: short stacking energy: -68.751 Base-Backbone interact. energy: -0.066 local terms energy: -65.240898 where: bonds (distance) C4'-P energy: -12.869 bonds (distance) P-C4' energy: -11.847 flat angles C4'-P-C4' energy: -13.649 flat angles P-C4'-P energy: -10.489 tors. eta vs tors. theta energy: -16.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 449 Temperature: 1.000000 Total energy: -201.749104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.749104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.749104 (E_RNA) where: Base-Base interactions energy: -138.802 where: short stacking energy: -65.162 Base-Backbone interact. energy: 0.774 local terms energy: -63.720577 where: bonds (distance) C4'-P energy: -9.108 bonds (distance) P-C4' energy: -13.013 flat angles C4'-P-C4' energy: -15.961 flat angles P-C4'-P energy: -9.258 tors. eta vs tors. theta energy: -16.381 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 449 Temperature: 1.050000 Total energy: -194.715306 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.715306 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.715306 (E_RNA) where: Base-Base interactions energy: -131.005 where: short stacking energy: -63.562 Base-Backbone interact. energy: -0.336 local terms energy: -63.374340 where: bonds (distance) C4'-P energy: -12.996 bonds (distance) P-C4' energy: -8.225 flat angles C4'-P-C4' energy: -14.870 flat angles P-C4'-P energy: -8.656 tors. eta vs tors. theta energy: -18.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 449 Temperature: 1.100000 Total energy: -183.642304 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.642304 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.642304 (E_RNA) where: Base-Base interactions energy: -125.255 where: short stacking energy: -50.852 Base-Backbone interact. energy: -0.380 local terms energy: -58.006762 where: bonds (distance) C4'-P energy: -12.982 bonds (distance) P-C4' energy: -7.605 flat angles C4'-P-C4' energy: -15.352 flat angles P-C4'-P energy: -9.717 tors. eta vs tors. theta energy: -12.351 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 449 Temperature: 1.150000 Total energy: -184.360599 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.360599 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.360599 (E_RNA) where: Base-Base interactions energy: -127.273 where: short stacking energy: -45.766 Base-Backbone interact. energy: -0.076 local terms energy: -57.010970 where: bonds (distance) C4'-P energy: -8.773 bonds (distance) P-C4' energy: -10.787 flat angles C4'-P-C4' energy: -13.112 flat angles P-C4'-P energy: -12.245 tors. eta vs tors. theta energy: -12.095 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 449 Temperature: 1.200000 Total energy: -177.353342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.353342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.353342 (E_RNA) where: Base-Base interactions energy: -116.908 where: short stacking energy: -55.835 Base-Backbone interact. energy: -0.007 local terms energy: -60.438559 where: bonds (distance) C4'-P energy: -9.853 bonds (distance) P-C4' energy: -10.930 flat angles C4'-P-C4' energy: -12.016 flat angles P-C4'-P energy: -10.470 tors. eta vs tors. theta energy: -17.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 449 Temperature: 1.250000 Total energy: -88.336539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -88.336539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -88.336539 (E_RNA) where: Base-Base interactions energy: -38.181 where: short stacking energy: -30.043 Base-Backbone interact. energy: -0.097 local terms energy: -50.058753 where: bonds (distance) C4'-P energy: -14.888 bonds (distance) P-C4' energy: -11.372 flat angles C4'-P-C4' energy: -8.592 flat angles P-C4'-P energy: -5.170 tors. eta vs tors. theta energy: -10.037 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 449 Temperature: 1.300000 Total energy: -179.079227 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.079227 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.079227 (E_RNA) where: Base-Base interactions energy: -121.694 where: short stacking energy: -51.146 Base-Backbone interact. energy: -0.009 local terms energy: -57.375910 where: bonds (distance) C4'-P energy: -11.800 bonds (distance) P-C4' energy: -9.167 flat angles C4'-P-C4' energy: -14.161 flat angles P-C4'-P energy: -11.102 tors. eta vs tors. theta energy: -11.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 449 Temperature: 1.350000 Total energy: -69.667984 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.667984 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.667984 (E_RNA) where: Base-Base interactions energy: -22.264 where: short stacking energy: -18.076 Base-Backbone interact. energy: -0.078 local terms energy: -47.326511 where: bonds (distance) C4'-P energy: -11.696 bonds (distance) P-C4' energy: -14.500 flat angles C4'-P-C4' energy: -9.924 flat angles P-C4'-P energy: -10.155 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: 1, replica: 7 ===================================== Write number: 450 Temperature: 0.900000 Total energy: -212.161012 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.161012 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.161012 (E_RNA) where: Base-Base interactions energy: -140.769 where: short stacking energy: -67.520 Base-Backbone interact. energy: 0.905 local terms energy: -72.296918 where: bonds (distance) C4'-P energy: -11.355 bonds (distance) P-C4' energy: -14.867 flat angles C4'-P-C4' energy: -13.779 flat angles P-C4'-P energy: -11.800 tors. eta vs tors. theta energy: -20.496 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 450 Temperature: 0.950000 Total energy: -205.680714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.680714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.680714 (E_RNA) where: Base-Base interactions energy: -133.160 where: short stacking energy: -58.203 Base-Backbone interact. energy: -0.007 local terms energy: -72.514535 where: bonds (distance) C4'-P energy: -15.277 bonds (distance) P-C4' energy: -13.798 flat angles C4'-P-C4' energy: -16.691 flat angles P-C4'-P energy: -9.257 tors. eta vs tors. theta energy: -17.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 450 Temperature: 1.000000 Total energy: -200.094044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.094044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.094044 (E_RNA) where: Base-Base interactions energy: -130.406 where: short stacking energy: -61.807 Base-Backbone interact. energy: -0.028 local terms energy: -69.660007 where: bonds (distance) C4'-P energy: -13.093 bonds (distance) P-C4' energy: -11.124 flat angles C4'-P-C4' energy: -14.879 flat angles P-C4'-P energy: -11.824 tors. eta vs tors. theta energy: -18.739 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 450 Temperature: 1.050000 Total energy: -192.594270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.594270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.594270 (E_RNA) where: Base-Base interactions energy: -130.424 where: short stacking energy: -55.068 Base-Backbone interact. energy: 2.533 local terms energy: -64.703075 where: bonds (distance) C4'-P energy: -12.680 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -14.446 flat angles P-C4'-P energy: -11.013 tors. eta vs tors. theta energy: -11.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 450 Temperature: 1.100000 Total energy: -197.911496 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.911496 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.911496 (E_RNA) where: Base-Base interactions energy: -131.445 where: short stacking energy: -61.905 Base-Backbone interact. energy: -0.239 local terms energy: -66.227597 where: bonds (distance) C4'-P energy: -10.449 bonds (distance) P-C4' energy: -13.765 flat angles C4'-P-C4' energy: -11.245 flat angles P-C4'-P energy: -10.968 tors. eta vs tors. theta energy: -19.801 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: 4 ===================================== Write number: 450 Temperature: 1.150000 Total energy: -183.479443 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.479443 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.479443 (E_RNA) where: Base-Base interactions energy: -128.230 where: short stacking energy: -48.631 Base-Backbone interact. energy: -0.248 local terms energy: -55.001077 where: bonds (distance) C4'-P energy: -9.270 bonds (distance) P-C4' energy: -11.684 flat angles C4'-P-C4' energy: -14.567 flat angles P-C4'-P energy: -7.584 tors. eta vs tors. theta energy: -11.896 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: 9 ===================================== Write number: 450 Temperature: 1.200000 Total energy: -171.355693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.355693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.355693 (E_RNA) where: Base-Base interactions energy: -119.784 where: short stacking energy: -52.494 Base-Backbone interact. energy: -0.059 local terms energy: -51.513316 where: bonds (distance) C4'-P energy: -8.614 bonds (distance) P-C4' energy: -13.436 flat angles C4'-P-C4' energy: -6.130 flat angles P-C4'-P energy: -8.014 tors. eta vs tors. theta energy: -15.320 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 10 ===================================== Write number: 450 Temperature: 1.250000 Total energy: -81.419526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.419526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.419526 (E_RNA) where: Base-Base interactions energy: -32.917 where: short stacking energy: -28.237 Base-Backbone interact. energy: -0.135 local terms energy: -48.367779 where: bonds (distance) C4'-P energy: -16.167 bonds (distance) P-C4' energy: -13.200 flat angles C4'-P-C4' energy: -8.378 flat angles P-C4'-P energy: -8.133 tors. eta vs tors. theta energy: -2.489 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 1 ===================================== Write number: 450 Temperature: 1.300000 Total energy: -177.262739 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.262739 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.262739 (E_RNA) where: Base-Base interactions energy: -123.766 where: short stacking energy: -55.011 Base-Backbone interact. energy: -0.093 local terms energy: -53.404054 where: bonds (distance) C4'-P energy: -10.016 bonds (distance) P-C4' energy: -9.587 flat angles C4'-P-C4' energy: -11.324 flat angles P-C4'-P energy: -10.985 tors. eta vs tors. theta energy: -11.491 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 450 Temperature: 1.350000 Total energy: -74.565123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.565123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.565123 (E_RNA) where: Base-Base interactions energy: -24.740 where: short stacking energy: -22.345 Base-Backbone interact. energy: -0.543 local terms energy: -49.282102 where: bonds (distance) C4'-P energy: -12.383 bonds (distance) P-C4' energy: -15.534 flat angles C4'-P-C4' energy: -13.135 flat angles P-C4'-P energy: -8.172 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: 1, replica: 7 ===================================== Write number: 451 Temperature: 0.900000 Total energy: -211.318983 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.318983 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.318983 (E_RNA) where: Base-Base interactions energy: -140.423 where: short stacking energy: -62.593 Base-Backbone interact. energy: -0.028 local terms energy: -70.868438 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -13.554 flat angles C4'-P-C4' energy: -15.534 flat angles P-C4'-P energy: -11.122 tors. eta vs tors. theta energy: -18.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 451 Temperature: 0.950000 Total energy: -210.001026 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.001026 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.001026 (E_RNA) where: Base-Base interactions energy: -137.581 where: short stacking energy: -62.536 Base-Backbone interact. energy: -0.235 local terms energy: -72.185241 where: bonds (distance) C4'-P energy: -13.798 bonds (distance) P-C4' energy: -12.024 flat angles C4'-P-C4' energy: -14.714 flat angles P-C4'-P energy: -12.665 tors. eta vs tors. theta energy: -18.984 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 451 Temperature: 1.000000 Total energy: -202.505216 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.505216 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.505216 (E_RNA) where: Base-Base interactions energy: -130.764 where: short stacking energy: -66.978 Base-Backbone interact. energy: -0.299 local terms energy: -71.442515 where: bonds (distance) C4'-P energy: -13.501 bonds (distance) P-C4' energy: -10.773 flat angles C4'-P-C4' energy: -14.771 flat angles P-C4'-P energy: -12.534 tors. eta vs tors. theta energy: -19.864 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 451 Temperature: 1.050000 Total energy: -198.282705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.282705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.282705 (E_RNA) where: Base-Base interactions energy: -129.912 where: short stacking energy: -58.388 Base-Backbone interact. energy: -0.005 local terms energy: -68.365984 where: bonds (distance) C4'-P energy: -12.892 bonds (distance) P-C4' energy: -13.138 flat angles C4'-P-C4' energy: -14.661 flat angles P-C4'-P energy: -9.273 tors. eta vs tors. theta energy: -18.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 451 Temperature: 1.100000 Total energy: -196.770903 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.770903 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.770903 (E_RNA) where: Base-Base interactions energy: -133.404 where: short stacking energy: -61.407 Base-Backbone interact. energy: -0.011 local terms energy: -63.355271 where: bonds (distance) C4'-P energy: -10.349 bonds (distance) P-C4' energy: -12.756 flat angles C4'-P-C4' energy: -13.016 flat angles P-C4'-P energy: -8.662 tors. eta vs tors. theta energy: -18.572 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 4 ===================================== Write number: 451 Temperature: 1.150000 Total energy: -173.123152 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.123152 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.123152 (E_RNA) where: Base-Base interactions energy: -114.944 where: short stacking energy: -51.532 Base-Backbone interact. energy: -0.338 local terms energy: -57.840665 where: bonds (distance) C4'-P energy: -12.146 bonds (distance) P-C4' energy: -14.405 flat angles C4'-P-C4' energy: -13.012 flat angles P-C4'-P energy: -6.777 tors. eta vs tors. theta energy: -11.501 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: 7, replica: 9 ===================================== Write number: 451 Temperature: 1.200000 Total energy: -175.950948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.950948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.950948 (E_RNA) where: Base-Base interactions energy: -118.181 where: short stacking energy: -47.754 Base-Backbone interact. energy: -0.020 local terms energy: -57.749891 where: bonds (distance) C4'-P energy: -14.922 bonds (distance) P-C4' energy: -10.374 flat angles C4'-P-C4' energy: -9.944 flat angles P-C4'-P energy: -9.149 tors. eta vs tors. theta energy: -13.361 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: 1 ===================================== Write number: 451 Temperature: 1.250000 Total energy: -178.095826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.095826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.095826 (E_RNA) where: Base-Base interactions energy: -117.480 where: short stacking energy: -53.459 Base-Backbone interact. energy: -0.096 local terms energy: -60.519871 where: bonds (distance) C4'-P energy: -12.251 bonds (distance) P-C4' energy: -14.625 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -5.641 tors. eta vs tors. theta energy: -14.462 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 451 Temperature: 1.300000 Total energy: -81.012202 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.012202 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.012202 (E_RNA) where: Base-Base interactions energy: -31.403 where: short stacking energy: -31.314 Base-Backbone interact. energy: -0.105 local terms energy: -49.503840 where: bonds (distance) C4'-P energy: -9.759 bonds (distance) P-C4' energy: -12.137 flat angles C4'-P-C4' energy: -14.938 flat angles P-C4'-P energy: -8.785 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: 10, replica: 8 ===================================== Write number: 451 Temperature: 1.350000 Total energy: -75.414911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.414911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.414911 (E_RNA) where: Base-Base interactions energy: -34.232 where: short stacking energy: -34.164 Base-Backbone interact. energy: -0.085 local terms energy: -41.097232 where: bonds (distance) C4'-P energy: -13.452 bonds (distance) P-C4' energy: -10.519 flat angles C4'-P-C4' energy: -8.957 flat angles P-C4'-P energy: -7.564 tors. eta vs tors. theta energy: -0.605 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 452 Temperature: 0.900000 Total energy: -210.919563 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.919563 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.919563 (E_RNA) where: Base-Base interactions energy: -138.468 where: short stacking energy: -61.346 Base-Backbone interact. energy: -0.075 local terms energy: -72.376682 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -16.868 flat angles C4'-P-C4' energy: -17.011 flat angles P-C4'-P energy: -7.841 tors. eta vs tors. theta energy: -16.248 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: 7 ===================================== Write number: 452 Temperature: 0.950000 Total energy: -214.591194 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.591194 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.591194 (E_RNA) where: Base-Base interactions energy: -144.422 where: short stacking energy: -62.842 Base-Backbone interact. energy: -0.014 local terms energy: -70.154870 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -16.140 flat angles C4'-P-C4' energy: -12.940 flat angles P-C4'-P energy: -8.199 tors. eta vs tors. theta energy: -19.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 2 ===================================== Write number: 452 Temperature: 1.000000 Total energy: -204.841338 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.841338 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.841338 (E_RNA) where: Base-Base interactions energy: -134.428 where: short stacking energy: -64.382 Base-Backbone interact. energy: -0.298 local terms energy: -70.114959 where: bonds (distance) C4'-P energy: -15.723 bonds (distance) P-C4' energy: -13.390 flat angles C4'-P-C4' energy: -14.155 flat angles P-C4'-P energy: -8.765 tors. eta vs tors. theta energy: -18.081 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: 6 ===================================== Write number: 452 Temperature: 1.050000 Total energy: -187.107383 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.107383 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.107383 (E_RNA) where: Base-Base interactions energy: -123.097 where: short stacking energy: -55.875 Base-Backbone interact. energy: -0.034 local terms energy: -63.976620 where: bonds (distance) C4'-P energy: -12.817 bonds (distance) P-C4' energy: -15.512 flat angles C4'-P-C4' energy: -9.223 flat angles P-C4'-P energy: -10.872 tors. eta vs tors. theta energy: -15.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 4 ===================================== Write number: 452 Temperature: 1.100000 Total energy: -191.179675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.179675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.179675 (E_RNA) where: Base-Base interactions energy: -125.886 where: short stacking energy: -58.123 Base-Backbone interact. energy: -0.142 local terms energy: -65.150943 where: bonds (distance) C4'-P energy: -10.877 bonds (distance) P-C4' energy: -11.701 flat angles C4'-P-C4' energy: -15.118 flat angles P-C4'-P energy: -8.833 tors. eta vs tors. theta energy: -18.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 452 Temperature: 1.150000 Total energy: -183.497094 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.497094 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.497094 (E_RNA) where: Base-Base interactions energy: -118.168 where: short stacking energy: -50.612 Base-Backbone interact. energy: -0.246 local terms energy: -65.083286 where: bonds (distance) C4'-P energy: -13.691 bonds (distance) P-C4' energy: -15.092 flat angles C4'-P-C4' energy: -14.343 flat angles P-C4'-P energy: -7.994 tors. eta vs tors. theta energy: -13.963 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 452 Temperature: 1.200000 Total energy: -183.887349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.887349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.887349 (E_RNA) where: Base-Base interactions energy: -121.495 where: short stacking energy: -55.368 Base-Backbone interact. energy: 0.132 local terms energy: -62.524989 where: bonds (distance) C4'-P energy: -11.654 bonds (distance) P-C4' energy: -9.795 flat angles C4'-P-C4' energy: -14.659 flat angles P-C4'-P energy: -9.468 tors. eta vs tors. theta energy: -16.949 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: 452 Temperature: 1.250000 Total energy: -183.099589 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.099589 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.099589 (E_RNA) where: Base-Base interactions energy: -117.313 where: short stacking energy: -54.633 Base-Backbone interact. energy: -0.058 local terms energy: -65.728780 where: bonds (distance) C4'-P energy: -11.067 bonds (distance) P-C4' energy: -13.639 flat angles C4'-P-C4' energy: -15.063 flat angles P-C4'-P energy: -9.176 tors. eta vs tors. theta energy: -16.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 452 Temperature: 1.300000 Total energy: -73.950545 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.950545 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.950545 (E_RNA) where: Base-Base interactions energy: -27.220 where: short stacking energy: -27.220 Base-Backbone interact. energy: -0.419 local terms energy: -46.311425 where: bonds (distance) C4'-P energy: -10.047 bonds (distance) P-C4' energy: -14.505 flat angles C4'-P-C4' energy: -10.068 flat angles P-C4'-P energy: -6.781 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: 10, replica: 10 ===================================== Write number: 452 Temperature: 1.350000 Total energy: -87.158940 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -87.158940 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -87.158940 (E_RNA) where: Base-Base interactions energy: -41.098 where: short stacking energy: -39.708 Base-Backbone interact. energy: -0.275 local terms energy: -45.785691 where: bonds (distance) C4'-P energy: -9.353 bonds (distance) P-C4' energy: -12.101 flat angles C4'-P-C4' energy: -12.475 flat angles P-C4'-P energy: -4.337 tors. eta vs tors. theta energy: -7.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 453 Temperature: 0.900000 Total energy: -206.018430 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.018430 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.018430 (E_RNA) where: Base-Base interactions energy: -136.320 where: short stacking energy: -60.023 Base-Backbone interact. energy: -0.056 local terms energy: -69.642189 where: bonds (distance) C4'-P energy: -14.552 bonds (distance) P-C4' energy: -14.724 flat angles C4'-P-C4' energy: -12.660 flat angles P-C4'-P energy: -10.938 tors. eta vs tors. theta energy: -16.768 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: 2, replica: 2 ===================================== Write number: 453 Temperature: 0.950000 Total energy: -201.324518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.324518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.324518 (E_RNA) where: Base-Base interactions energy: -136.771 where: short stacking energy: -65.401 Base-Backbone interact. energy: -0.034 local terms energy: -64.519669 where: bonds (distance) C4'-P energy: -11.804 bonds (distance) P-C4' energy: -14.420 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -8.310 tors. eta vs tors. theta energy: -18.058 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 453 Temperature: 1.000000 Total energy: -203.017032 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.017032 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.017032 (E_RNA) where: Base-Base interactions energy: -137.267 where: short stacking energy: -63.745 Base-Backbone interact. energy: -0.447 local terms energy: -65.302890 where: bonds (distance) C4'-P energy: -11.972 bonds (distance) P-C4' energy: -13.296 flat angles C4'-P-C4' energy: -14.701 flat angles P-C4'-P energy: -8.735 tors. eta vs tors. theta energy: -16.599 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 453 Temperature: 1.050000 Total energy: -202.815446 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.815446 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.815446 (E_RNA) where: Base-Base interactions energy: -134.052 where: short stacking energy: -59.381 Base-Backbone interact. energy: -0.199 local terms energy: -68.564566 where: bonds (distance) C4'-P energy: -15.149 bonds (distance) P-C4' energy: -14.526 flat angles C4'-P-C4' energy: -13.624 flat angles P-C4'-P energy: -7.747 tors. eta vs tors. theta energy: -17.519 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 453 Temperature: 1.100000 Total energy: -197.373824 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.373824 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.373824 (E_RNA) where: Base-Base interactions energy: -127.521 where: short stacking energy: -57.222 Base-Backbone interact. energy: -0.238 local terms energy: -69.615206 where: bonds (distance) C4'-P energy: -13.485 bonds (distance) P-C4' energy: -13.965 flat angles C4'-P-C4' energy: -14.157 flat angles P-C4'-P energy: -9.649 tors. eta vs tors. theta energy: -18.360 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 453 Temperature: 1.150000 Total energy: -186.658461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.658461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.658461 (E_RNA) where: Base-Base interactions energy: -123.207 where: short stacking energy: -57.362 Base-Backbone interact. energy: -0.068 local terms energy: -63.383695 where: bonds (distance) C4'-P energy: -8.741 bonds (distance) P-C4' energy: -15.231 flat angles C4'-P-C4' energy: -14.529 flat angles P-C4'-P energy: -13.343 tors. eta vs tors. theta energy: -11.540 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 453 Temperature: 1.200000 Total energy: -171.447997 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.447997 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.447997 (E_RNA) where: Base-Base interactions energy: -111.587 where: short stacking energy: -46.612 Base-Backbone interact. energy: -0.500 local terms energy: -59.361392 where: bonds (distance) C4'-P energy: -12.909 bonds (distance) P-C4' energy: -13.145 flat angles C4'-P-C4' energy: -14.318 flat angles P-C4'-P energy: -10.367 tors. eta vs tors. theta energy: -8.623 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 453 Temperature: 1.250000 Total energy: -175.370839 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.370839 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.370839 (E_RNA) where: Base-Base interactions energy: -124.417 where: short stacking energy: -51.075 Base-Backbone interact. energy: 1.764 local terms energy: -52.718632 where: bonds (distance) C4'-P energy: -8.137 bonds (distance) P-C4' energy: -8.934 flat angles C4'-P-C4' energy: -9.617 flat angles P-C4'-P energy: -10.097 tors. eta vs tors. theta energy: -15.933 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: 8 ===================================== Write number: 453 Temperature: 1.300000 Total energy: -71.552051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.552051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.552051 (E_RNA) where: Base-Base interactions energy: -36.049 where: short stacking energy: -19.153 Base-Backbone interact. energy: 3.582 local terms energy: -39.085202 where: bonds (distance) C4'-P energy: -13.484 bonds (distance) P-C4' energy: -14.898 flat angles C4'-P-C4' energy: -10.598 flat angles P-C4'-P energy: -1.619 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: 10 ===================================== Write number: 453 Temperature: 1.350000 Total energy: -80.113541 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.113541 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.113541 (E_RNA) where: Base-Base interactions energy: -28.628 where: short stacking energy: -28.628 Base-Backbone interact. energy: -0.121 local terms energy: -51.364842 where: bonds (distance) C4'-P energy: -11.550 bonds (distance) P-C4' energy: -15.611 flat angles C4'-P-C4' energy: -14.083 flat angles P-C4'-P energy: -7.325 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: 1, replica: 3 ===================================== Write number: 454 Temperature: 0.900000 Total energy: -205.937560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.937560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.937560 (E_RNA) where: Base-Base interactions energy: -133.053 where: short stacking energy: -60.288 Base-Backbone interact. energy: -0.133 local terms energy: -72.751722 where: bonds (distance) C4'-P energy: -11.712 bonds (distance) P-C4' energy: -16.686 flat angles C4'-P-C4' energy: -15.682 flat angles P-C4'-P energy: -11.711 tors. eta vs tors. theta energy: -16.960 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 454 Temperature: 0.950000 Total energy: -206.294358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.294358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.294358 (E_RNA) where: Base-Base interactions energy: -133.999 where: short stacking energy: -61.398 Base-Backbone interact. energy: -0.062 local terms energy: -72.234155 where: bonds (distance) C4'-P energy: -14.462 bonds (distance) P-C4' energy: -12.901 flat angles C4'-P-C4' energy: -14.898 flat angles P-C4'-P energy: -11.710 tors. eta vs tors. theta energy: -18.264 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 454 Temperature: 1.000000 Total energy: -203.885523 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.885523 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.885523 (E_RNA) where: Base-Base interactions energy: -133.586 where: short stacking energy: -62.331 Base-Backbone interact. energy: -0.077 local terms energy: -70.222500 where: bonds (distance) C4'-P energy: -13.405 bonds (distance) P-C4' energy: -13.331 flat angles C4'-P-C4' energy: -13.912 flat angles P-C4'-P energy: -11.769 tors. eta vs tors. theta energy: -17.804 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 454 Temperature: 1.050000 Total energy: -189.916693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.916693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.916693 (E_RNA) where: Base-Base interactions energy: -124.700 where: short stacking energy: -49.741 Base-Backbone interact. energy: -0.012 local terms energy: -65.204876 where: bonds (distance) C4'-P energy: -13.405 bonds (distance) P-C4' energy: -13.231 flat angles C4'-P-C4' energy: -11.986 flat angles P-C4'-P energy: -11.749 tors. eta vs tors. theta energy: -14.834 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 454 Temperature: 1.100000 Total energy: -179.727580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.727580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.727580 (E_RNA) where: Base-Base interactions energy: -124.944 where: short stacking energy: -53.311 Base-Backbone interact. energy: -0.215 local terms energy: -54.568907 where: bonds (distance) C4'-P energy: -9.428 bonds (distance) P-C4' energy: -11.131 flat angles C4'-P-C4' energy: -12.952 flat angles P-C4'-P energy: -9.058 tors. eta vs tors. theta energy: -12.001 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 454 Temperature: 1.150000 Total energy: -181.949526 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.949526 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.949526 (E_RNA) where: Base-Base interactions energy: -121.547 where: short stacking energy: -55.534 Base-Backbone interact. energy: -0.225 local terms energy: -60.178413 where: bonds (distance) C4'-P energy: -9.029 bonds (distance) P-C4' energy: -15.524 flat angles C4'-P-C4' energy: -9.636 flat angles P-C4'-P energy: -12.103 tors. eta vs tors. theta energy: -13.888 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 454 Temperature: 1.200000 Total energy: -178.944742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.944742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.944742 (E_RNA) where: Base-Base interactions energy: -126.310 where: short stacking energy: -57.163 Base-Backbone interact. energy: -0.093 local terms energy: -52.542373 where: bonds (distance) C4'-P energy: -9.782 bonds (distance) P-C4' energy: -11.440 flat angles C4'-P-C4' energy: -12.482 flat angles P-C4'-P energy: -6.814 tors. eta vs tors. theta energy: -12.024 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: 1 ===================================== Write number: 454 Temperature: 1.250000 Total energy: -174.229577 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.229577 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.229577 (E_RNA) where: Base-Base interactions energy: -117.276 where: short stacking energy: -53.086 Base-Backbone interact. energy: -0.003 local terms energy: -56.950890 where: bonds (distance) C4'-P energy: -12.172 bonds (distance) P-C4' energy: -14.050 flat angles C4'-P-C4' energy: -7.293 flat angles P-C4'-P energy: -10.884 tors. eta vs tors. theta energy: -12.552 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 454 Temperature: 1.300000 Total energy: -89.062230 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.062230 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.062230 (E_RNA) where: Base-Base interactions energy: -38.998 where: short stacking energy: -38.998 Base-Backbone interact. energy: 1.690 local terms energy: -51.754354 where: bonds (distance) C4'-P energy: -8.371 bonds (distance) P-C4' energy: -13.498 flat angles C4'-P-C4' energy: -13.665 flat angles P-C4'-P energy: -6.868 tors. eta vs tors. theta energy: -9.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 454 Temperature: 1.350000 Total energy: -79.043079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.043079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.043079 (E_RNA) where: Base-Base interactions energy: -32.012 where: short stacking energy: -31.890 Base-Backbone interact. energy: -0.104 local terms energy: -46.926755 where: bonds (distance) C4'-P energy: -8.123 bonds (distance) P-C4' energy: -11.450 flat angles C4'-P-C4' energy: -10.850 flat angles P-C4'-P energy: -7.310 tors. eta vs tors. theta energy: -9.193 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 455 Temperature: 0.900000 Total energy: -214.337214 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.337214 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.337214 (E_RNA) where: Base-Base interactions energy: -142.957 where: short stacking energy: -63.679 Base-Backbone interact. energy: -0.009 local terms energy: -71.370839 where: bonds (distance) C4'-P energy: -13.572 bonds (distance) P-C4' energy: -12.549 flat angles C4'-P-C4' energy: -14.254 flat angles P-C4'-P energy: -12.460 tors. eta vs tors. theta energy: -18.536 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: 2 ===================================== Write number: 455 Temperature: 0.950000 Total energy: -211.552079 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.552079 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.552079 (E_RNA) where: Base-Base interactions energy: -139.309 where: short stacking energy: -62.106 Base-Backbone interact. energy: -0.001 local terms energy: -72.242511 where: bonds (distance) C4'-P energy: -13.472 bonds (distance) P-C4' energy: -15.305 flat angles C4'-P-C4' energy: -15.692 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: -17.591 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: 3, replica: 4 ===================================== Write number: 455 Temperature: 1.000000 Total energy: -199.575645 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.575645 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.575645 (E_RNA) where: Base-Base interactions energy: -126.515 where: short stacking energy: -64.225 Base-Backbone interact. energy: -0.175 local terms energy: -72.885903 where: bonds (distance) C4'-P energy: -13.923 bonds (distance) P-C4' energy: -11.456 flat angles C4'-P-C4' energy: -16.316 flat angles P-C4'-P energy: -14.195 tors. eta vs tors. theta energy: -16.995 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 455 Temperature: 1.050000 Total energy: -197.493060 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.493060 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.493060 (E_RNA) where: Base-Base interactions energy: -131.355 where: short stacking energy: -60.785 Base-Backbone interact. energy: -0.273 local terms energy: -65.865110 where: bonds (distance) C4'-P energy: -10.686 bonds (distance) P-C4' energy: -13.308 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -12.012 tors. eta vs tors. theta energy: -17.142 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: 7 ===================================== Write number: 455 Temperature: 1.100000 Total energy: -184.530342 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.530342 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.530342 (E_RNA) where: Base-Base interactions energy: -122.220 where: short stacking energy: -54.027 Base-Backbone interact. energy: -0.146 local terms energy: -62.164158 where: bonds (distance) C4'-P energy: -13.021 bonds (distance) P-C4' energy: -14.215 flat angles C4'-P-C4' energy: -14.698 flat angles P-C4'-P energy: -4.545 tors. eta vs tors. theta energy: -15.685 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 455 Temperature: 1.150000 Total energy: -182.263857 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.263857 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.263857 (E_RNA) where: Base-Base interactions energy: -113.726 where: short stacking energy: -60.005 Base-Backbone interact. energy: -0.033 local terms energy: -68.504507 where: bonds (distance) C4'-P energy: -13.341 bonds (distance) P-C4' energy: -13.639 flat angles C4'-P-C4' energy: -13.472 flat angles P-C4'-P energy: -9.492 tors. eta vs tors. theta energy: -18.561 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 455 Temperature: 1.200000 Total energy: -173.663483 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.663483 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.663483 (E_RNA) where: Base-Base interactions energy: -120.441 where: short stacking energy: -52.167 Base-Backbone interact. energy: 0.816 local terms energy: -54.038340 where: bonds (distance) C4'-P energy: -11.664 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -9.325 flat angles P-C4'-P energy: -8.185 tors. eta vs tors. theta energy: -10.956 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 455 Temperature: 1.250000 Total energy: -163.535896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.535896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.535896 (E_RNA) where: Base-Base interactions energy: -109.577 where: short stacking energy: -52.804 Base-Backbone interact. energy: 1.185 local terms energy: -55.143487 where: bonds (distance) C4'-P energy: -8.781 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -10.929 flat angles P-C4'-P energy: -8.561 tors. eta vs tors. theta energy: -10.907 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 455 Temperature: 1.300000 Total energy: -75.833943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.833943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.833943 (E_RNA) where: Base-Base interactions energy: -30.752 where: short stacking energy: -30.198 Base-Backbone interact. energy: -0.068 local terms energy: -45.014511 where: bonds (distance) C4'-P energy: -12.209 bonds (distance) P-C4' energy: -12.957 flat angles C4'-P-C4' energy: -10.839 flat angles P-C4'-P energy: -3.431 tors. eta vs tors. theta energy: -5.578 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 455 Temperature: 1.350000 Total energy: -96.617630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -96.617630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -96.617630 (E_RNA) where: Base-Base interactions energy: -39.786 where: short stacking energy: -38.524 Base-Backbone interact. energy: -0.193 local terms energy: -56.638075 where: bonds (distance) C4'-P energy: -11.799 bonds (distance) P-C4' energy: -14.984 flat angles C4'-P-C4' energy: -11.495 flat angles P-C4'-P energy: -8.972 tors. eta vs tors. theta energy: -9.387 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 2 ===================================== Write number: 456 Temperature: 0.900000 Total energy: -205.984419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.984419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.984419 (E_RNA) where: Base-Base interactions energy: -136.261 where: short stacking energy: -65.059 Base-Backbone interact. energy: -0.002 local terms energy: -69.720812 where: bonds (distance) C4'-P energy: -13.898 bonds (distance) P-C4' energy: -15.358 flat angles C4'-P-C4' energy: -13.560 flat angles P-C4'-P energy: -10.048 tors. eta vs tors. theta energy: -16.858 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 456 Temperature: 0.950000 Total energy: -202.451872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.451872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.451872 (E_RNA) where: Base-Base interactions energy: -129.841 where: short stacking energy: -64.310 Base-Backbone interact. energy: -0.001 local terms energy: -72.609955 where: bonds (distance) C4'-P energy: -13.816 bonds (distance) P-C4' energy: -14.528 flat angles C4'-P-C4' energy: -15.149 flat angles P-C4'-P energy: -10.563 tors. eta vs tors. theta energy: -18.554 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 456 Temperature: 1.000000 Total energy: -205.047602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.047602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.047602 (E_RNA) where: Base-Base interactions energy: -138.058 where: short stacking energy: -69.428 Base-Backbone interact. energy: -0.010 local terms energy: -66.978959 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -14.617 flat angles C4'-P-C4' energy: -12.586 flat angles P-C4'-P energy: -9.989 tors. eta vs tors. theta energy: -16.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 456 Temperature: 1.050000 Total energy: -189.520743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.520743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.520743 (E_RNA) where: Base-Base interactions energy: -130.375 where: short stacking energy: -59.851 Base-Backbone interact. energy: -0.369 local terms energy: -58.776911 where: bonds (distance) C4'-P energy: -7.404 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -10.354 flat angles P-C4'-P energy: -8.313 tors. eta vs tors. theta energy: -18.759 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: 7 ===================================== Write number: 456 Temperature: 1.100000 Total energy: -193.979485 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.979485 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.979485 (E_RNA) where: Base-Base interactions energy: -122.101 where: short stacking energy: -60.704 Base-Backbone interact. energy: -0.000 local terms energy: -71.878607 where: bonds (distance) C4'-P energy: -15.276 bonds (distance) P-C4' energy: -16.006 flat angles C4'-P-C4' energy: -13.616 flat angles P-C4'-P energy: -12.308 tors. eta vs tors. theta energy: -14.671 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 456 Temperature: 1.150000 Total energy: -195.540807 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.540807 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.540807 (E_RNA) where: Base-Base interactions energy: -132.587 where: short stacking energy: -56.621 Base-Backbone interact. energy: -0.010 local terms energy: -62.943807 where: bonds (distance) C4'-P energy: -11.318 bonds (distance) P-C4' energy: -13.680 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -8.186 tors. eta vs tors. theta energy: -17.192 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: 1 ===================================== Write number: 456 Temperature: 1.200000 Total energy: -173.587663 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.587663 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.587663 (E_RNA) where: Base-Base interactions energy: -115.076 where: short stacking energy: -54.449 Base-Backbone interact. energy: 1.215 local terms energy: -59.726644 where: bonds (distance) C4'-P energy: -12.342 bonds (distance) P-C4' energy: -16.464 flat angles C4'-P-C4' energy: -9.246 flat angles P-C4'-P energy: -7.945 tors. eta vs tors. theta energy: -13.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 456 Temperature: 1.250000 Total energy: -166.784549 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.784549 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.784549 (E_RNA) where: Base-Base interactions energy: -112.936 where: short stacking energy: -45.831 Base-Backbone interact. energy: -0.050 local terms energy: -53.798841 where: bonds (distance) C4'-P energy: -6.463 bonds (distance) P-C4' energy: -12.077 flat angles C4'-P-C4' energy: -15.407 flat angles P-C4'-P energy: -8.131 tors. eta vs tors. theta energy: -11.720 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: 8 ===================================== Write number: 456 Temperature: 1.300000 Total energy: -72.443494 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.443494 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.443494 (E_RNA) where: Base-Base interactions energy: -27.043 where: short stacking energy: -26.202 Base-Backbone interact. energy: -0.117 local terms energy: -45.284185 where: bonds (distance) C4'-P energy: -14.201 bonds (distance) P-C4' energy: -11.916 flat angles C4'-P-C4' energy: -14.753 flat angles P-C4'-P energy: -4.414 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: 10, replica: 10 ===================================== Write number: 456 Temperature: 1.350000 Total energy: -78.944955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.944955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.944955 (E_RNA) where: Base-Base interactions energy: -30.629 where: short stacking energy: -30.629 Base-Backbone interact. energy: -0.078 local terms energy: -48.237935 where: bonds (distance) C4'-P energy: -14.495 bonds (distance) P-C4' energy: -9.517 flat angles C4'-P-C4' energy: -4.665 flat angles P-C4'-P energy: -10.725 tors. eta vs tors. theta energy: -8.837 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: 1, replica: 2 ===================================== Write number: 457 Temperature: 0.900000 Total energy: -195.976506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.976506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.976506 (E_RNA) where: Base-Base interactions energy: -130.295 where: short stacking energy: -63.125 Base-Backbone interact. energy: 1.224 local terms energy: -66.905749 where: bonds (distance) C4'-P energy: -12.266 bonds (distance) P-C4' energy: -15.559 flat angles C4'-P-C4' energy: -11.146 flat angles P-C4'-P energy: -11.151 tors. eta vs tors. theta energy: -16.784 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 457 Temperature: 0.950000 Total energy: -199.900516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.900516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.900516 (E_RNA) where: Base-Base interactions energy: -131.797 where: short stacking energy: -57.612 Base-Backbone interact. energy: -0.021 local terms energy: -68.082485 where: bonds (distance) C4'-P energy: -11.576 bonds (distance) P-C4' energy: -15.579 flat angles C4'-P-C4' energy: -11.955 flat angles P-C4'-P energy: -11.950 tors. eta vs tors. theta energy: -17.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 457 Temperature: 1.000000 Total energy: -186.016002 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.016002 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.016002 (E_RNA) where: Base-Base interactions energy: -119.361 where: short stacking energy: -53.449 Base-Backbone interact. energy: -0.102 local terms energy: -66.552756 where: bonds (distance) C4'-P energy: -16.266 bonds (distance) P-C4' energy: -13.825 flat angles C4'-P-C4' energy: -10.910 flat angles P-C4'-P energy: -12.633 tors. eta vs tors. theta energy: -12.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 457 Temperature: 1.050000 Total energy: -194.931174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.931174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.931174 (E_RNA) where: Base-Base interactions energy: -129.915 where: short stacking energy: -57.949 Base-Backbone interact. energy: -0.457 local terms energy: -64.558303 where: bonds (distance) C4'-P energy: -12.611 bonds (distance) P-C4' energy: -14.596 flat angles C4'-P-C4' energy: -11.016 flat angles P-C4'-P energy: -10.419 tors. eta vs tors. theta energy: -15.916 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 457 Temperature: 1.100000 Total energy: -169.429668 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.429668 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.429668 (E_RNA) where: Base-Base interactions energy: -119.328 where: short stacking energy: -53.118 Base-Backbone interact. energy: -0.021 local terms energy: -50.081131 where: bonds (distance) C4'-P energy: -7.738 bonds (distance) P-C4' energy: -9.028 flat angles C4'-P-C4' energy: -11.924 flat angles P-C4'-P energy: -12.046 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: 6, replica: 1 ===================================== Write number: 457 Temperature: 1.150000 Total energy: -182.120801 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.120801 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.120801 (E_RNA) where: Base-Base interactions energy: -117.939 where: short stacking energy: -56.992 Base-Backbone interact. energy: -0.088 local terms energy: -64.094057 where: bonds (distance) C4'-P energy: -13.116 bonds (distance) P-C4' energy: -11.117 flat angles C4'-P-C4' energy: -13.294 flat angles P-C4'-P energy: -11.098 tors. eta vs tors. theta energy: -15.470 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: 7, replica: 9 ===================================== Write number: 457 Temperature: 1.200000 Total energy: -179.896244 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.896244 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.896244 (E_RNA) where: Base-Base interactions energy: -119.752 where: short stacking energy: -52.576 Base-Backbone interact. energy: -0.296 local terms energy: -59.848508 where: bonds (distance) C4'-P energy: -5.572 bonds (distance) P-C4' energy: -14.325 flat angles C4'-P-C4' energy: -16.413 flat angles P-C4'-P energy: -10.629 tors. eta vs tors. theta energy: -12.909 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 457 Temperature: 1.250000 Total energy: -157.950679 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -157.950679 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -157.950679 (E_RNA) where: Base-Base interactions energy: -106.836 where: short stacking energy: -47.970 Base-Backbone interact. energy: -0.747 local terms energy: -50.367648 where: bonds (distance) C4'-P energy: -11.908 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -8.525 flat angles P-C4'-P energy: -6.683 tors. eta vs tors. theta energy: -8.828 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 457 Temperature: 1.300000 Total energy: -80.881793 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.881793 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.881793 (E_RNA) where: Base-Base interactions energy: -36.072 where: short stacking energy: -25.469 Base-Backbone interact. energy: -0.050 local terms energy: -44.759223 where: bonds (distance) C4'-P energy: -14.093 bonds (distance) P-C4' energy: -12.535 flat angles C4'-P-C4' energy: -11.210 flat angles P-C4'-P energy: -4.890 tors. eta vs tors. theta energy: -2.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 457 Temperature: 1.350000 Total energy: -76.105155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.105155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.105155 (E_RNA) where: Base-Base interactions energy: -27.319 where: short stacking energy: -27.319 Base-Backbone interact. energy: -1.151 local terms energy: -47.635227 where: bonds (distance) C4'-P energy: -8.214 bonds (distance) P-C4' energy: -11.505 flat angles C4'-P-C4' energy: -9.641 flat angles P-C4'-P energy: -10.278 tors. eta vs tors. theta energy: -7.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 458 Temperature: 0.900000 Total energy: -212.744826 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.744826 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.744826 (E_RNA) where: Base-Base interactions energy: -138.626 where: short stacking energy: -63.952 Base-Backbone interact. energy: -0.422 local terms energy: -73.697186 where: bonds (distance) C4'-P energy: -15.464 bonds (distance) P-C4' energy: -14.849 flat angles C4'-P-C4' energy: -13.781 flat angles P-C4'-P energy: -11.707 tors. eta vs tors. theta energy: -17.897 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 2 ===================================== Write number: 458 Temperature: 0.950000 Total energy: -200.872633 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.872633 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.872633 (E_RNA) where: Base-Base interactions energy: -132.582 where: short stacking energy: -70.696 Base-Backbone interact. energy: -0.306 local terms energy: -67.984643 where: bonds (distance) C4'-P energy: -14.467 bonds (distance) P-C4' energy: -12.416 flat angles C4'-P-C4' energy: -10.736 flat angles P-C4'-P energy: -13.787 tors. eta vs tors. theta energy: -16.580 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: 3, replica: 4 ===================================== Write number: 458 Temperature: 1.000000 Total energy: -203.018014 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.018014 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.018014 (E_RNA) where: Base-Base interactions energy: -138.061 where: short stacking energy: -67.535 Base-Backbone interact. energy: -0.629 local terms energy: -64.328201 where: bonds (distance) C4'-P energy: -12.283 bonds (distance) P-C4' energy: -13.895 flat angles C4'-P-C4' energy: -13.616 flat angles P-C4'-P energy: -7.348 tors. eta vs tors. theta energy: -17.186 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: 7 ===================================== Write number: 458 Temperature: 1.050000 Total energy: -190.385416 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.385416 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.385416 (E_RNA) where: Base-Base interactions energy: -125.656 where: short stacking energy: -48.031 Base-Backbone interact. energy: -0.104 local terms energy: -64.625820 where: bonds (distance) C4'-P energy: -13.280 bonds (distance) P-C4' energy: -15.230 flat angles C4'-P-C4' energy: -13.657 flat angles P-C4'-P energy: -11.180 tors. eta vs tors. theta energy: -11.279 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: 1 ===================================== Write number: 458 Temperature: 1.100000 Total energy: -179.315447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.315447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.315447 (E_RNA) where: Base-Base interactions energy: -118.265 where: short stacking energy: -44.398 Base-Backbone interact. energy: 0.017 local terms energy: -61.067458 where: bonds (distance) C4'-P energy: -14.532 bonds (distance) P-C4' energy: -10.115 flat angles C4'-P-C4' energy: -14.665 flat angles P-C4'-P energy: -10.759 tors. eta vs tors. theta energy: -10.997 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 458 Temperature: 1.150000 Total energy: -182.829588 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.829588 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.829588 (E_RNA) where: Base-Base interactions energy: -131.296 where: short stacking energy: -63.897 Base-Backbone interact. energy: -0.212 local terms energy: -51.321519 where: bonds (distance) C4'-P energy: -7.625 bonds (distance) P-C4' energy: -7.321 flat angles C4'-P-C4' energy: -10.533 flat angles P-C4'-P energy: -7.136 tors. eta vs tors. theta energy: -18.707 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 458 Temperature: 1.200000 Total energy: -175.002635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.002635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.002635 (E_RNA) where: Base-Base interactions energy: -110.932 where: short stacking energy: -48.360 Base-Backbone interact. energy: -0.104 local terms energy: -63.966390 where: bonds (distance) C4'-P energy: -13.302 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -14.588 flat angles P-C4'-P energy: -5.713 tors. eta vs tors. theta energy: -15.983 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 458 Temperature: 1.250000 Total energy: -163.512832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.512832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.512832 (E_RNA) where: Base-Base interactions energy: -106.463 where: short stacking energy: -44.150 Base-Backbone interact. energy: -0.263 local terms energy: -56.786808 where: bonds (distance) C4'-P energy: -11.315 bonds (distance) P-C4' energy: -14.029 flat angles C4'-P-C4' energy: -11.259 flat angles P-C4'-P energy: -8.995 tors. eta vs tors. theta energy: -11.189 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 458 Temperature: 1.300000 Total energy: -83.296942 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -83.296942 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -83.296942 (E_RNA) where: Base-Base interactions energy: -36.451 where: short stacking energy: -32.196 Base-Backbone interact. energy: -0.039 local terms energy: -46.806840 where: bonds (distance) C4'-P energy: -11.481 bonds (distance) P-C4' energy: -8.734 flat angles C4'-P-C4' energy: -12.008 flat angles P-C4'-P energy: -5.829 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: 10, replica: 10 ===================================== Write number: 458 Temperature: 1.350000 Total energy: -75.432905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.432905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.432905 (E_RNA) where: Base-Base interactions energy: -27.668 where: short stacking energy: -27.668 Base-Backbone interact. energy: -0.221 local terms energy: -47.544393 where: bonds (distance) C4'-P energy: -11.807 bonds (distance) P-C4' energy: -11.643 flat angles C4'-P-C4' energy: -11.630 flat angles P-C4'-P energy: -9.965 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: 3 ===================================== Write number: 459 Temperature: 0.900000 Total energy: -208.334947 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.334947 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.334947 (E_RNA) where: Base-Base interactions energy: -134.567 where: short stacking energy: -60.384 Base-Backbone interact. energy: -0.000 local terms energy: -73.767094 where: bonds (distance) C4'-P energy: -14.233 bonds (distance) P-C4' energy: -13.940 flat angles C4'-P-C4' energy: -14.951 flat angles P-C4'-P energy: -10.674 tors. eta vs tors. theta energy: -19.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 459 Temperature: 0.950000 Total energy: -205.692728 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.692728 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.692728 (E_RNA) where: Base-Base interactions energy: -135.954 where: short stacking energy: -61.623 Base-Backbone interact. energy: -0.031 local terms energy: -69.707222 where: bonds (distance) C4'-P energy: -10.179 bonds (distance) P-C4' energy: -13.948 flat angles C4'-P-C4' energy: -15.876 flat angles P-C4'-P energy: -12.226 tors. eta vs tors. theta energy: -17.478 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: 2 ===================================== Write number: 459 Temperature: 1.000000 Total energy: -196.879597 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.879597 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.879597 (E_RNA) where: Base-Base interactions energy: -128.771 where: short stacking energy: -55.310 Base-Backbone interact. energy: 0.174 local terms energy: -68.283199 where: bonds (distance) C4'-P energy: -13.082 bonds (distance) P-C4' energy: -13.203 flat angles C4'-P-C4' energy: -15.036 flat angles P-C4'-P energy: -10.834 tors. eta vs tors. theta energy: -16.127 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: 1 ===================================== Write number: 459 Temperature: 1.050000 Total energy: -190.314778 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.314778 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.314778 (E_RNA) where: Base-Base interactions energy: -125.955 where: short stacking energy: -59.913 Base-Backbone interact. energy: -0.084 local terms energy: -64.275813 where: bonds (distance) C4'-P energy: -10.512 bonds (distance) P-C4' energy: -13.733 flat angles C4'-P-C4' energy: -13.562 flat angles P-C4'-P energy: -9.263 tors. eta vs tors. theta energy: -17.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 459 Temperature: 1.100000 Total energy: -191.354738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.354738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.354738 (E_RNA) where: Base-Base interactions energy: -126.477 where: short stacking energy: -57.581 Base-Backbone interact. energy: -0.027 local terms energy: -64.850745 where: bonds (distance) C4'-P energy: -11.908 bonds (distance) P-C4' energy: -14.839 flat angles C4'-P-C4' energy: -15.393 flat angles P-C4'-P energy: -9.287 tors. eta vs tors. theta energy: -13.424 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 459 Temperature: 1.150000 Total energy: -172.816387 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.816387 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.816387 (E_RNA) where: Base-Base interactions energy: -107.182 where: short stacking energy: -48.180 Base-Backbone interact. energy: -0.937 local terms energy: -64.697673 where: bonds (distance) C4'-P energy: -13.212 bonds (distance) P-C4' energy: -12.679 flat angles C4'-P-C4' energy: -13.843 flat angles P-C4'-P energy: -9.592 tors. eta vs tors. theta energy: -15.372 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 459 Temperature: 1.200000 Total energy: -170.481789 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.481789 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.481789 (E_RNA) where: Base-Base interactions energy: -112.674 where: short stacking energy: -41.941 Base-Backbone interact. energy: 1.849 local terms energy: -59.656590 where: bonds (distance) C4'-P energy: -10.884 bonds (distance) P-C4' energy: -13.504 flat angles C4'-P-C4' energy: -11.397 flat angles P-C4'-P energy: -9.590 tors. eta vs tors. theta energy: -14.283 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 459 Temperature: 1.250000 Total energy: -166.955434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.955434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.955434 (E_RNA) where: Base-Base interactions energy: -111.889 where: short stacking energy: -49.622 Base-Backbone interact. energy: -0.102 local terms energy: -54.964002 where: bonds (distance) C4'-P energy: -6.842 bonds (distance) P-C4' energy: -14.160 flat angles C4'-P-C4' energy: -13.538 flat angles P-C4'-P energy: -8.430 tors. eta vs tors. theta energy: -11.993 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: 8 ===================================== Write number: 459 Temperature: 1.300000 Total energy: -72.865479 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.865479 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.865479 (E_RNA) where: Base-Base interactions energy: -28.093 where: short stacking energy: -21.929 Base-Backbone interact. energy: -0.367 local terms energy: -44.404945 where: bonds (distance) C4'-P energy: -11.256 bonds (distance) P-C4' energy: -11.545 flat angles C4'-P-C4' energy: -10.930 flat angles P-C4'-P energy: -7.632 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: 10, replica: 10 ===================================== Write number: 459 Temperature: 1.350000 Total energy: -77.988280 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.988280 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.988280 (E_RNA) where: Base-Base interactions energy: -30.497 where: short stacking energy: -30.497 Base-Backbone interact. energy: -0.015 local terms energy: -47.476305 where: bonds (distance) C4'-P energy: -12.739 bonds (distance) P-C4' energy: -12.753 flat angles C4'-P-C4' energy: -7.229 flat angles P-C4'-P energy: -8.561 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: 1, replica: 4 ===================================== Write number: 460 Temperature: 0.900000 Total energy: -211.250225 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.250225 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.250225 (E_RNA) where: Base-Base interactions energy: -142.092 where: short stacking energy: -63.324 Base-Backbone interact. energy: -0.081 local terms energy: -69.076687 where: bonds (distance) C4'-P energy: -15.492 bonds (distance) P-C4' energy: -11.451 flat angles C4'-P-C4' energy: -16.345 flat angles P-C4'-P energy: -7.787 tors. eta vs tors. theta energy: -18.003 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 460 Temperature: 0.950000 Total energy: -211.141961 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.141961 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.141961 (E_RNA) where: Base-Base interactions energy: -136.860 where: short stacking energy: -58.664 Base-Backbone interact. energy: -0.376 local terms energy: -73.905708 where: bonds (distance) C4'-P energy: -14.235 bonds (distance) P-C4' energy: -14.883 flat angles C4'-P-C4' energy: -15.379 flat angles P-C4'-P energy: -11.508 tors. eta vs tors. theta energy: -17.900 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 460 Temperature: 1.000000 Total energy: -199.088762 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.088762 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.088762 (E_RNA) where: Base-Base interactions energy: -130.936 where: short stacking energy: -63.992 Base-Backbone interact. energy: -0.000 local terms energy: -68.152789 where: bonds (distance) C4'-P energy: -13.483 bonds (distance) P-C4' energy: -15.548 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -10.106 tors. eta vs tors. theta energy: -17.204 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 2 ===================================== Write number: 460 Temperature: 1.050000 Total energy: -194.876937 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.876937 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.876937 (E_RNA) where: Base-Base interactions energy: -127.204 where: short stacking energy: -58.396 Base-Backbone interact. energy: 0.608 local terms energy: -68.280922 where: bonds (distance) C4'-P energy: -14.383 bonds (distance) P-C4' energy: -11.209 flat angles C4'-P-C4' energy: -16.018 flat angles P-C4'-P energy: -10.486 tors. eta vs tors. theta energy: -16.184 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 460 Temperature: 1.100000 Total energy: -195.895325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.895325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.895325 (E_RNA) where: Base-Base interactions energy: -130.264 where: short stacking energy: -58.942 Base-Backbone interact. energy: -0.000 local terms energy: -65.631156 where: bonds (distance) C4'-P energy: -11.220 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -14.237 flat angles P-C4'-P energy: -8.766 tors. eta vs tors. theta energy: -15.653 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 460 Temperature: 1.150000 Total energy: -179.818108 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.818108 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.818108 (E_RNA) where: Base-Base interactions energy: -122.779 where: short stacking energy: -65.243 Base-Backbone interact. energy: -0.492 local terms energy: -56.546166 where: bonds (distance) C4'-P energy: -6.865 bonds (distance) P-C4' energy: -9.756 flat angles C4'-P-C4' energy: -13.683 flat angles P-C4'-P energy: -10.220 tors. eta vs tors. theta energy: -16.022 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 460 Temperature: 1.200000 Total energy: -187.927896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.927896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.927896 (E_RNA) where: Base-Base interactions energy: -129.591 where: short stacking energy: -54.443 Base-Backbone interact. energy: -0.007 local terms energy: -58.329934 where: bonds (distance) C4'-P energy: -13.679 bonds (distance) P-C4' energy: -6.850 flat angles C4'-P-C4' energy: -14.653 flat angles P-C4'-P energy: -5.512 tors. eta vs tors. theta energy: -17.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 460 Temperature: 1.250000 Total energy: -168.837693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.837693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.837693 (E_RNA) where: Base-Base interactions energy: -110.194 where: short stacking energy: -47.171 Base-Backbone interact. energy: -0.043 local terms energy: -58.600560 where: bonds (distance) C4'-P energy: -10.457 bonds (distance) P-C4' energy: -8.842 flat angles C4'-P-C4' energy: -13.198 flat angles P-C4'-P energy: -10.348 tors. eta vs tors. theta energy: -15.756 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 460 Temperature: 1.300000 Total energy: -73.694847 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.694847 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.694847 (E_RNA) where: Base-Base interactions energy: -27.829 where: short stacking energy: -27.466 Base-Backbone interact. energy: -0.090 local terms energy: -45.775531 where: bonds (distance) C4'-P energy: -11.191 bonds (distance) P-C4' energy: -15.678 flat angles C4'-P-C4' energy: -8.105 flat angles P-C4'-P energy: -6.358 tors. eta vs tors. theta energy: -4.444 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 460 Temperature: 1.350000 Total energy: -67.380303 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.380303 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.380303 (E_RNA) where: Base-Base interactions energy: -32.767 where: short stacking energy: -18.623 Base-Backbone interact. energy: -1.140 local terms energy: -33.473616 where: bonds (distance) C4'-P energy: -9.853 bonds (distance) P-C4' energy: -11.255 flat angles C4'-P-C4' energy: -6.435 flat angles P-C4'-P energy: -6.859 tors. eta vs tors. theta energy: 0.928 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: 461 Temperature: 0.900000 Total energy: -215.584707 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.584707 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.584707 (E_RNA) where: Base-Base interactions energy: -142.600 where: short stacking energy: -60.268 Base-Backbone interact. energy: -0.151 local terms energy: -72.833625 where: bonds (distance) C4'-P energy: -16.390 bonds (distance) P-C4' energy: -13.093 flat angles C4'-P-C4' energy: -15.294 flat angles P-C4'-P energy: -11.802 tors. eta vs tors. theta energy: -16.254 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 461 Temperature: 0.950000 Total energy: -210.273649 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.273649 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.273649 (E_RNA) where: Base-Base interactions energy: -136.879 where: short stacking energy: -70.111 Base-Backbone interact. energy: -0.001 local terms energy: -73.393672 where: bonds (distance) C4'-P energy: -12.106 bonds (distance) P-C4' energy: -16.858 flat angles C4'-P-C4' energy: -13.217 flat angles P-C4'-P energy: -12.718 tors. eta vs tors. theta energy: -18.495 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: 3, replica: 3 ===================================== Write number: 461 Temperature: 1.000000 Total energy: -197.130255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.130255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.130255 (E_RNA) where: Base-Base interactions energy: -125.924 where: short stacking energy: -58.326 Base-Backbone interact. energy: -0.308 local terms energy: -70.898911 where: bonds (distance) C4'-P energy: -15.455 bonds (distance) P-C4' energy: -13.257 flat angles C4'-P-C4' energy: -13.516 flat angles P-C4'-P energy: -10.172 tors. eta vs tors. theta energy: -18.498 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: 4, replica: 7 ===================================== Write number: 461 Temperature: 1.050000 Total energy: -190.552693 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.552693 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.552693 (E_RNA) where: Base-Base interactions energy: -121.224 where: short stacking energy: -60.730 Base-Backbone interact. energy: -0.079 local terms energy: -69.249291 where: bonds (distance) C4'-P energy: -13.480 bonds (distance) P-C4' energy: -16.640 flat angles C4'-P-C4' energy: -13.191 flat angles P-C4'-P energy: -9.859 tors. eta vs tors. theta energy: -16.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 461 Temperature: 1.100000 Total energy: -185.496714 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.496714 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.496714 (E_RNA) where: Base-Base interactions energy: -122.520 where: short stacking energy: -50.983 Base-Backbone interact. energy: -0.076 local terms energy: -62.901155 where: bonds (distance) C4'-P energy: -13.787 bonds (distance) P-C4' energy: -12.515 flat angles C4'-P-C4' energy: -10.612 flat angles P-C4'-P energy: -11.136 tors. eta vs tors. theta energy: -14.852 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: 6, replica: 9 ===================================== Write number: 461 Temperature: 1.150000 Total energy: -182.857743 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.857743 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.857743 (E_RNA) where: Base-Base interactions energy: -119.713 where: short stacking energy: -55.277 Base-Backbone interact. energy: -0.038 local terms energy: -63.106269 where: bonds (distance) C4'-P energy: -12.946 bonds (distance) P-C4' energy: -15.737 flat angles C4'-P-C4' energy: -10.947 flat angles P-C4'-P energy: -7.876 tors. eta vs tors. theta energy: -15.600 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: 7, replica: 5 ===================================== Write number: 461 Temperature: 1.200000 Total energy: -177.262891 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.262891 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.262891 (E_RNA) where: Base-Base interactions energy: -116.984 where: short stacking energy: -57.351 Base-Backbone interact. energy: -0.059 local terms energy: -60.219457 where: bonds (distance) C4'-P energy: -13.467 bonds (distance) P-C4' energy: -12.970 flat angles C4'-P-C4' energy: -9.760 flat angles P-C4'-P energy: -7.458 tors. eta vs tors. theta energy: -16.565 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 461 Temperature: 1.250000 Total energy: -179.428123 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.428123 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.428123 (E_RNA) where: Base-Base interactions energy: -117.097 where: short stacking energy: -55.828 Base-Backbone interact. energy: -0.042 local terms energy: -62.288733 where: bonds (distance) C4'-P energy: -10.902 bonds (distance) P-C4' energy: -14.473 flat angles C4'-P-C4' energy: -14.434 flat angles P-C4'-P energy: -8.536 tors. eta vs tors. theta energy: -13.944 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 461 Temperature: 1.300000 Total energy: -74.354571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.354571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.354571 (E_RNA) where: Base-Base interactions energy: -28.179 where: short stacking energy: -25.941 Base-Backbone interact. energy: -0.689 local terms energy: -45.486605 where: bonds (distance) C4'-P energy: -14.742 bonds (distance) P-C4' energy: -11.069 flat angles C4'-P-C4' energy: -11.468 flat angles P-C4'-P energy: -6.045 tors. eta vs tors. theta energy: -2.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 461 Temperature: 1.350000 Total energy: -78.226883 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.226883 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.226883 (E_RNA) where: Base-Base interactions energy: -37.058 where: short stacking energy: -27.519 Base-Backbone interact. energy: -0.081 local terms energy: -41.087770 where: bonds (distance) C4'-P energy: -11.311 bonds (distance) P-C4' energy: -0.378 flat angles C4'-P-C4' energy: -13.700 flat angles P-C4'-P energy: -10.689 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: 1, replica: 4 ===================================== Write number: 462 Temperature: 0.900000 Total energy: -205.634889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.634889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.634889 (E_RNA) where: Base-Base interactions energy: -136.041 where: short stacking energy: -61.303 Base-Backbone interact. energy: -0.233 local terms energy: -69.361493 where: bonds (distance) C4'-P energy: -14.208 bonds (distance) P-C4' energy: -15.141 flat angles C4'-P-C4' energy: -14.778 flat angles P-C4'-P energy: -7.687 tors. eta vs tors. theta energy: -17.546 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 462 Temperature: 0.950000 Total energy: -206.147287 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.147287 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.147287 (E_RNA) where: Base-Base interactions energy: -137.408 where: short stacking energy: -60.773 Base-Backbone interact. energy: -0.079 local terms energy: -68.659730 where: bonds (distance) C4'-P energy: -12.636 bonds (distance) P-C4' energy: -13.932 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -9.770 tors. eta vs tors. theta energy: -17.265 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: 3 ===================================== Write number: 462 Temperature: 1.000000 Total energy: -207.413270 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.413270 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.413270 (E_RNA) where: Base-Base interactions energy: -141.994 where: short stacking energy: -60.831 Base-Backbone interact. energy: -0.352 local terms energy: -65.067431 where: bonds (distance) C4'-P energy: -14.793 bonds (distance) P-C4' energy: -8.857 flat angles C4'-P-C4' energy: -12.536 flat angles P-C4'-P energy: -9.481 tors. eta vs tors. theta energy: -19.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 462 Temperature: 1.050000 Total energy: -197.833582 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.833582 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.833582 (E_RNA) where: Base-Base interactions energy: -128.252 where: short stacking energy: -59.906 Base-Backbone interact. energy: -0.055 local terms energy: -69.526678 where: bonds (distance) C4'-P energy: -11.899 bonds (distance) P-C4' energy: -14.920 flat angles C4'-P-C4' energy: -14.798 flat angles P-C4'-P energy: -11.232 tors. eta vs tors. theta energy: -16.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 462 Temperature: 1.100000 Total energy: -180.820243 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.820243 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.820243 (E_RNA) where: Base-Base interactions energy: -115.837 where: short stacking energy: -48.810 Base-Backbone interact. energy: -0.068 local terms energy: -64.914981 where: bonds (distance) C4'-P energy: -15.595 bonds (distance) P-C4' energy: -11.542 flat angles C4'-P-C4' energy: -13.466 flat angles P-C4'-P energy: -10.481 tors. eta vs tors. theta energy: -13.831 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: 2 ===================================== Write number: 462 Temperature: 1.150000 Total energy: -173.285497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.285497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.285497 (E_RNA) where: Base-Base interactions energy: -119.183 where: short stacking energy: -53.203 Base-Backbone interact. energy: -0.090 local terms energy: -54.012528 where: bonds (distance) C4'-P energy: -12.910 bonds (distance) P-C4' energy: -13.427 flat angles C4'-P-C4' energy: -12.565 flat angles P-C4'-P energy: -3.394 tors. eta vs tors. theta energy: -11.717 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 462 Temperature: 1.200000 Total energy: -176.811452 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.811452 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.811452 (E_RNA) where: Base-Base interactions energy: -117.085 where: short stacking energy: -44.756 Base-Backbone interact. energy: -0.034 local terms energy: -59.692585 where: bonds (distance) C4'-P energy: -13.496 bonds (distance) P-C4' energy: -13.811 flat angles C4'-P-C4' energy: -9.976 flat angles P-C4'-P energy: -7.350 tors. eta vs tors. theta energy: -15.059 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 462 Temperature: 1.250000 Total energy: -166.163768 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.163768 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.163768 (E_RNA) where: Base-Base interactions energy: -108.312 where: short stacking energy: -41.144 Base-Backbone interact. energy: -0.159 local terms energy: -57.693610 where: bonds (distance) C4'-P energy: -12.168 bonds (distance) P-C4' energy: -12.368 flat angles C4'-P-C4' energy: -11.955 flat angles P-C4'-P energy: -8.640 tors. eta vs tors. theta energy: -12.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 462 Temperature: 1.300000 Total energy: -79.118698 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.118698 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.118698 (E_RNA) where: Base-Base interactions energy: -26.577 where: short stacking energy: -26.577 Base-Backbone interact. energy: -0.009 local terms energy: -52.531895 where: bonds (distance) C4'-P energy: -11.866 bonds (distance) P-C4' energy: -10.976 flat angles C4'-P-C4' energy: -14.266 flat angles P-C4'-P energy: -7.436 tors. eta vs tors. theta energy: -7.988 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 462 Temperature: 1.350000 Total energy: -91.427389 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.427389 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.427389 (E_RNA) where: Base-Base interactions energy: -49.516 where: short stacking energy: -29.933 Base-Backbone interact. energy: -0.057 local terms energy: -41.853913 where: bonds (distance) C4'-P energy: -10.541 bonds (distance) P-C4' energy: -16.876 flat angles C4'-P-C4' energy: -9.902 flat angles P-C4'-P energy: -2.650 tors. eta vs tors. theta energy: -1.885 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 463 Temperature: 0.900000 Total energy: -205.417818 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.417818 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.417818 (E_RNA) where: Base-Base interactions energy: -132.694 where: short stacking energy: -58.042 Base-Backbone interact. energy: -0.111 local terms energy: -72.612906 where: bonds (distance) C4'-P energy: -16.017 bonds (distance) P-C4' energy: -15.417 flat angles C4'-P-C4' energy: -14.050 flat angles P-C4'-P energy: -12.537 tors. eta vs tors. theta energy: -14.592 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 463 Temperature: 0.950000 Total energy: -207.732642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.732642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.732642 (E_RNA) where: Base-Base interactions energy: -135.717 where: short stacking energy: -67.908 Base-Backbone interact. energy: -0.057 local terms energy: -71.959133 where: bonds (distance) C4'-P energy: -12.897 bonds (distance) P-C4' energy: -14.197 flat angles C4'-P-C4' energy: -14.973 flat angles P-C4'-P energy: -10.072 tors. eta vs tors. theta energy: -19.820 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: 463 Temperature: 1.000000 Total energy: -208.706624 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.706624 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.706624 (E_RNA) where: Base-Base interactions energy: -131.696 where: short stacking energy: -59.008 Base-Backbone interact. energy: -0.005 local terms energy: -77.006062 where: bonds (distance) C4'-P energy: -16.792 bonds (distance) P-C4' energy: -14.755 flat angles C4'-P-C4' energy: -15.971 flat angles P-C4'-P energy: -11.180 tors. eta vs tors. theta energy: -18.308 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: 9 ===================================== Write number: 463 Temperature: 1.050000 Total energy: -195.855673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.855673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.855673 (E_RNA) where: Base-Base interactions energy: -129.340 where: short stacking energy: -65.843 Base-Backbone interact. energy: -0.000 local terms energy: -66.515938 where: bonds (distance) C4'-P energy: -15.120 bonds (distance) P-C4' energy: -12.070 flat angles C4'-P-C4' energy: -14.225 flat angles P-C4'-P energy: -8.855 tors. eta vs tors. theta energy: -16.246 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 463 Temperature: 1.100000 Total energy: -194.245522 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.245522 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.245522 (E_RNA) where: Base-Base interactions energy: -128.822 where: short stacking energy: -58.755 Base-Backbone interact. energy: -0.056 local terms energy: -65.367167 where: bonds (distance) C4'-P energy: -8.318 bonds (distance) P-C4' energy: -14.643 flat angles C4'-P-C4' energy: -14.528 flat angles P-C4'-P energy: -10.076 tors. eta vs tors. theta energy: -17.803 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: 6, replica: 5 ===================================== Write number: 463 Temperature: 1.150000 Total energy: -178.455544 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.455544 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.455544 (E_RNA) where: Base-Base interactions energy: -118.789 where: short stacking energy: -49.844 Base-Backbone interact. energy: -0.135 local terms energy: -59.531035 where: bonds (distance) C4'-P energy: -13.079 bonds (distance) P-C4' energy: -10.042 flat angles C4'-P-C4' energy: -11.548 flat angles P-C4'-P energy: -8.294 tors. eta vs tors. theta energy: -16.568 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 463 Temperature: 1.200000 Total energy: -179.112022 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.112022 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.112022 (E_RNA) where: Base-Base interactions energy: -120.404 where: short stacking energy: -55.165 Base-Backbone interact. energy: 0.238 local terms energy: -58.946018 where: bonds (distance) C4'-P energy: -15.367 bonds (distance) P-C4' energy: -11.921 flat angles C4'-P-C4' energy: -13.585 flat angles P-C4'-P energy: -8.277 tors. eta vs tors. theta energy: -9.796 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 463 Temperature: 1.250000 Total energy: -164.226053 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -164.226053 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -164.226053 (E_RNA) where: Base-Base interactions energy: -112.014 where: short stacking energy: -50.127 Base-Backbone interact. energy: -0.008 local terms energy: -52.204138 where: bonds (distance) C4'-P energy: -13.315 bonds (distance) P-C4' energy: -12.607 flat angles C4'-P-C4' energy: -12.535 flat angles P-C4'-P energy: -5.342 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: 9, replica: 8 ===================================== Write number: 463 Temperature: 1.300000 Total energy: -90.508086 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.508086 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.508086 (E_RNA) where: Base-Base interactions energy: -42.627 where: short stacking energy: -42.627 Base-Backbone interact. energy: -0.000 local terms energy: -47.880837 where: bonds (distance) C4'-P energy: -7.600 bonds (distance) P-C4' energy: -13.613 flat angles C4'-P-C4' energy: -11.142 flat angles P-C4'-P energy: -6.555 tors. eta vs tors. theta energy: -8.970 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 463 Temperature: 1.350000 Total energy: -68.357114 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.357114 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.357114 (E_RNA) where: Base-Base interactions energy: -30.214 where: short stacking energy: -21.713 Base-Backbone interact. energy: -1.096 local terms energy: -37.047522 where: bonds (distance) C4'-P energy: -9.808 bonds (distance) P-C4' energy: -9.594 flat angles C4'-P-C4' energy: -11.841 flat angles P-C4'-P energy: -8.930 tors. eta vs tors. theta energy: 3.125 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 464 Temperature: 0.900000 Total energy: -211.752330 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.752330 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.752330 (E_RNA) where: Base-Base interactions energy: -138.672 where: short stacking energy: -66.096 Base-Backbone interact. energy: -0.008 local terms energy: -73.072755 where: bonds (distance) C4'-P energy: -12.809 bonds (distance) P-C4' energy: -14.172 flat angles C4'-P-C4' energy: -15.732 flat angles P-C4'-P energy: -10.142 tors. eta vs tors. theta energy: -20.217 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: 4 ===================================== Write number: 464 Temperature: 0.950000 Total energy: -202.504439 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.504439 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.504439 (E_RNA) where: Base-Base interactions energy: -138.760 where: short stacking energy: -60.448 Base-Backbone interact. energy: -0.847 local terms energy: -62.897132 where: bonds (distance) C4'-P energy: -10.809 bonds (distance) P-C4' energy: -12.989 flat angles C4'-P-C4' energy: -10.177 flat angles P-C4'-P energy: -9.655 tors. eta vs tors. theta energy: -19.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 464 Temperature: 1.000000 Total energy: -203.495825 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.495825 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.495825 (E_RNA) where: Base-Base interactions energy: -140.100 where: short stacking energy: -64.262 Base-Backbone interact. energy: -0.006 local terms energy: -63.389385 where: bonds (distance) C4'-P energy: -7.853 bonds (distance) P-C4' energy: -14.659 flat angles C4'-P-C4' energy: -16.600 flat angles P-C4'-P energy: -7.151 tors. eta vs tors. theta energy: -17.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 464 Temperature: 1.050000 Total energy: -202.086066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.086066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.086066 (E_RNA) where: Base-Base interactions energy: -127.305 where: short stacking energy: -58.203 Base-Backbone interact. energy: 0.156 local terms energy: -74.937288 where: bonds (distance) C4'-P energy: -13.815 bonds (distance) P-C4' energy: -12.913 flat angles C4'-P-C4' energy: -16.600 flat angles P-C4'-P energy: -12.398 tors. eta vs tors. theta energy: -19.211 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: 5 ===================================== Write number: 464 Temperature: 1.100000 Total energy: -190.122529 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.122529 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.122529 (E_RNA) where: Base-Base interactions energy: -127.249 where: short stacking energy: -60.904 Base-Backbone interact. energy: -0.115 local terms energy: -62.758992 where: bonds (distance) C4'-P energy: -11.344 bonds (distance) P-C4' energy: -13.838 flat angles C4'-P-C4' energy: -13.961 flat angles P-C4'-P energy: -7.930 tors. eta vs tors. theta energy: -15.687 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: 464 Temperature: 1.150000 Total energy: -182.609076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.609076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.609076 (E_RNA) where: Base-Base interactions energy: -122.878 where: short stacking energy: -56.988 Base-Backbone interact. energy: 0.616 local terms energy: -60.347580 where: bonds (distance) C4'-P energy: -14.561 bonds (distance) P-C4' energy: -9.354 flat angles C4'-P-C4' energy: -13.188 flat angles P-C4'-P energy: -10.526 tors. eta vs tors. theta energy: -12.719 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 464 Temperature: 1.200000 Total energy: -180.528076 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.528076 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.528076 (E_RNA) where: Base-Base interactions energy: -118.036 where: short stacking energy: -57.147 Base-Backbone interact. energy: -0.416 local terms energy: -62.075873 where: bonds (distance) C4'-P energy: -10.892 bonds (distance) P-C4' energy: -13.722 flat angles C4'-P-C4' energy: -10.340 flat angles P-C4'-P energy: -9.999 tors. eta vs tors. theta energy: -17.123 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: 8, replica: 2 ===================================== Write number: 464 Temperature: 1.250000 Total energy: -145.746234 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -145.746234 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -145.746234 (E_RNA) where: Base-Base interactions energy: -93.887 where: short stacking energy: -39.791 Base-Backbone interact. energy: -0.180 local terms energy: -51.679521 where: bonds (distance) C4'-P energy: -14.303 bonds (distance) P-C4' energy: -15.156 flat angles C4'-P-C4' energy: -10.033 flat angles P-C4'-P energy: -8.309 tors. eta vs tors. theta energy: -3.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 464 Temperature: 1.300000 Total energy: -81.605699 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.605699 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.605699 (E_RNA) where: Base-Base interactions energy: -26.314 where: short stacking energy: -26.314 Base-Backbone interact. energy: 0.127 local terms energy: -55.418617 where: bonds (distance) C4'-P energy: -14.300 bonds (distance) P-C4' energy: -14.706 flat angles C4'-P-C4' energy: -12.215 flat angles P-C4'-P energy: -8.096 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: 10, replica: 8 ===================================== Write number: 464 Temperature: 1.350000 Total energy: -89.498737 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.498737 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.498737 (E_RNA) where: Base-Base interactions energy: -52.782 where: short stacking energy: -28.175 Base-Backbone interact. energy: -0.345 local terms energy: -36.372055 where: bonds (distance) C4'-P energy: -11.001 bonds (distance) P-C4' energy: -12.506 flat angles C4'-P-C4' energy: -12.277 flat angles P-C4'-P energy: -2.902 tors. eta vs tors. theta energy: 2.314 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 465 Temperature: 0.900000 Total energy: -211.690206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.690206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.690206 (E_RNA) where: Base-Base interactions energy: -146.720 where: short stacking energy: -63.442 Base-Backbone interact. energy: -0.309 local terms energy: -64.661256 where: bonds (distance) C4'-P energy: -12.180 bonds (distance) P-C4' energy: -14.049 flat angles C4'-P-C4' energy: -14.199 flat angles P-C4'-P energy: -5.009 tors. eta vs tors. theta energy: -19.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 465 Temperature: 0.950000 Total energy: -211.499924 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.499924 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.499924 (E_RNA) where: Base-Base interactions energy: -140.740 where: short stacking energy: -63.113 Base-Backbone interact. energy: -0.027 local terms energy: -70.733411 where: bonds (distance) C4'-P energy: -11.741 bonds (distance) P-C4' energy: -15.138 flat angles C4'-P-C4' energy: -15.331 flat angles P-C4'-P energy: -10.502 tors. eta vs tors. theta energy: -18.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 465 Temperature: 1.000000 Total energy: -195.794444 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.794444 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.794444 (E_RNA) where: Base-Base interactions energy: -129.118 where: short stacking energy: -63.474 Base-Backbone interact. energy: -0.004 local terms energy: -66.671697 where: bonds (distance) C4'-P energy: -9.489 bonds (distance) P-C4' energy: -15.361 flat angles C4'-P-C4' energy: -13.439 flat angles P-C4'-P energy: -6.779 tors. eta vs tors. theta energy: -21.604 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: 4, replica: 1 ===================================== Write number: 465 Temperature: 1.050000 Total energy: -195.027066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.027066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.027066 (E_RNA) where: Base-Base interactions energy: -127.104 where: short stacking energy: -54.856 Base-Backbone interact. energy: -0.002 local terms energy: -67.921224 where: bonds (distance) C4'-P energy: -14.516 bonds (distance) P-C4' energy: -11.654 flat angles C4'-P-C4' energy: -11.753 flat angles P-C4'-P energy: -10.645 tors. eta vs tors. theta energy: -19.354 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 465 Temperature: 1.100000 Total energy: -184.233896 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.233896 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.233896 (E_RNA) where: Base-Base interactions energy: -123.669 where: short stacking energy: -56.796 Base-Backbone interact. energy: -0.002 local terms energy: -60.562994 where: bonds (distance) C4'-P energy: -14.225 bonds (distance) P-C4' energy: -13.471 flat angles C4'-P-C4' energy: -11.681 flat angles P-C4'-P energy: -4.629 tors. eta vs tors. theta energy: -16.556 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 465 Temperature: 1.150000 Total energy: -178.137677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.137677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.137677 (E_RNA) where: Base-Base interactions energy: -117.918 where: short stacking energy: -58.187 Base-Backbone interact. energy: -0.397 local terms energy: -59.822631 where: bonds (distance) C4'-P energy: -11.788 bonds (distance) P-C4' energy: -12.697 flat angles C4'-P-C4' energy: -14.792 flat angles P-C4'-P energy: -6.110 tors. eta vs tors. theta energy: -14.436 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 465 Temperature: 1.200000 Total energy: -174.062683 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.062683 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.062683 (E_RNA) where: Base-Base interactions energy: -117.677 where: short stacking energy: -56.193 Base-Backbone interact. energy: -0.630 local terms energy: -55.755156 where: bonds (distance) C4'-P energy: -10.250 bonds (distance) P-C4' energy: -13.963 flat angles C4'-P-C4' energy: -14.006 flat angles P-C4'-P energy: -8.189 tors. eta vs tors. theta energy: -9.347 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 465 Temperature: 1.250000 Total energy: -148.675677 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -148.675677 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -148.675677 (E_RNA) where: Base-Base interactions energy: -102.070 where: short stacking energy: -47.516 Base-Backbone interact. energy: -0.132 local terms energy: -46.473309 where: bonds (distance) C4'-P energy: -12.399 bonds (distance) P-C4' energy: -7.512 flat angles C4'-P-C4' energy: -11.189 flat angles P-C4'-P energy: -6.766 tors. eta vs tors. theta energy: -8.607 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 465 Temperature: 1.300000 Total energy: -75.723321 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.723321 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.723321 (E_RNA) where: Base-Base interactions energy: -33.790 where: short stacking energy: -20.838 Base-Backbone interact. energy: -0.462 local terms energy: -41.471566 where: bonds (distance) C4'-P energy: -11.684 bonds (distance) P-C4' energy: -13.381 flat angles C4'-P-C4' energy: -10.725 flat angles P-C4'-P energy: -8.360 tors. eta vs tors. theta energy: 2.678 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 465 Temperature: 1.350000 Total energy: -82.417279 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.417279 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.417279 (E_RNA) where: Base-Base interactions energy: -36.256 where: short stacking energy: -26.373 Base-Backbone interact. energy: -0.150 local terms energy: -46.011511 where: bonds (distance) C4'-P energy: -13.174 bonds (distance) P-C4' energy: -12.859 flat angles C4'-P-C4' energy: -4.897 flat angles P-C4'-P energy: -8.823 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: 1, replica: 3 ===================================== Write number: 466 Temperature: 0.900000 Total energy: -208.054996 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.054996 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.054996 (E_RNA) where: Base-Base interactions energy: -138.472 where: short stacking energy: -62.847 Base-Backbone interact. energy: -0.094 local terms energy: -69.488954 where: bonds (distance) C4'-P energy: -14.345 bonds (distance) P-C4' energy: -15.075 flat angles C4'-P-C4' energy: -14.929 flat angles P-C4'-P energy: -8.267 tors. eta vs tors. theta energy: -16.872 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 466 Temperature: 0.950000 Total energy: -202.802119 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.802119 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.802119 (E_RNA) where: Base-Base interactions energy: -130.277 where: short stacking energy: -59.203 Base-Backbone interact. energy: -0.126 local terms energy: -72.398921 where: bonds (distance) C4'-P energy: -14.697 bonds (distance) P-C4' energy: -12.842 flat angles C4'-P-C4' energy: -16.479 flat angles P-C4'-P energy: -7.607 tors. eta vs tors. theta energy: -20.774 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: 1 ===================================== Write number: 466 Temperature: 1.000000 Total energy: -194.019395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.019395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.019395 (E_RNA) where: Base-Base interactions energy: -122.883 where: short stacking energy: -59.751 Base-Backbone interact. energy: -0.007 local terms energy: -71.129050 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -13.050 flat angles C4'-P-C4' energy: -14.913 flat angles P-C4'-P energy: -9.935 tors. eta vs tors. theta energy: -18.841 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 466 Temperature: 1.050000 Total energy: -195.531055 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.531055 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.531055 (E_RNA) where: Base-Base interactions energy: -126.298 where: short stacking energy: -60.731 Base-Backbone interact. energy: -0.000 local terms energy: -69.232823 where: bonds (distance) C4'-P energy: -12.407 bonds (distance) P-C4' energy: -15.312 flat angles C4'-P-C4' energy: -11.551 flat angles P-C4'-P energy: -11.010 tors. eta vs tors. theta energy: -18.952 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: 6 ===================================== Write number: 466 Temperature: 1.100000 Total energy: -177.382948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.382948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.382948 (E_RNA) where: Base-Base interactions energy: -113.213 where: short stacking energy: -53.795 Base-Backbone interact. energy: -0.095 local terms energy: -64.075859 where: bonds (distance) C4'-P energy: -10.936 bonds (distance) P-C4' energy: -13.468 flat angles C4'-P-C4' energy: -14.428 flat angles P-C4'-P energy: -12.255 tors. eta vs tors. theta energy: -12.989 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 466 Temperature: 1.150000 Total energy: -175.989491 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.989491 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.989491 (E_RNA) where: Base-Base interactions energy: -118.246 where: short stacking energy: -50.671 Base-Backbone interact. energy: -0.282 local terms energy: -57.460764 where: bonds (distance) C4'-P energy: -8.561 bonds (distance) P-C4' energy: -15.963 flat angles C4'-P-C4' energy: -15.108 flat angles P-C4'-P energy: -2.688 tors. eta vs tors. theta energy: -15.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 466 Temperature: 1.200000 Total energy: -163.972419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -163.972419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -163.972419 (E_RNA) where: Base-Base interactions energy: -104.812 where: short stacking energy: -42.038 Base-Backbone interact. energy: -0.026 local terms energy: -59.133983 where: bonds (distance) C4'-P energy: -14.764 bonds (distance) P-C4' energy: -13.979 flat angles C4'-P-C4' energy: -10.779 flat angles P-C4'-P energy: -6.839 tors. eta vs tors. theta energy: -12.772 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 7 ===================================== Write number: 466 Temperature: 1.250000 Total energy: -169.527542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.527542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.527542 (E_RNA) where: Base-Base interactions energy: -101.965 where: short stacking energy: -54.618 Base-Backbone interact. energy: -0.010 local terms energy: -67.552530 where: bonds (distance) C4'-P energy: -15.625 bonds (distance) P-C4' energy: -14.424 flat angles C4'-P-C4' energy: -13.305 flat angles P-C4'-P energy: -8.143 tors. eta vs tors. theta energy: -16.056 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 466 Temperature: 1.300000 Total energy: -79.731307 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.731307 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.731307 (E_RNA) where: Base-Base interactions energy: -39.503 where: short stacking energy: -39.503 Base-Backbone interact. energy: -0.120 local terms energy: -40.108366 where: bonds (distance) C4'-P energy: -11.673 bonds (distance) P-C4' energy: -9.168 flat angles C4'-P-C4' energy: -9.311 flat angles P-C4'-P energy: -4.672 tors. eta vs tors. theta energy: -5.285 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 466 Temperature: 1.350000 Total energy: -74.368133 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.368133 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.368133 (E_RNA) where: Base-Base interactions energy: -31.088 where: short stacking energy: -18.394 Base-Backbone interact. energy: 2.085 local terms energy: -45.365436 where: bonds (distance) C4'-P energy: -13.348 bonds (distance) P-C4' energy: -9.099 flat angles C4'-P-C4' energy: -11.147 flat angles P-C4'-P energy: -6.158 tors. eta vs tors. theta energy: -5.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 467 Temperature: 0.900000 Total energy: -212.264844 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.264844 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.264844 (E_RNA) where: Base-Base interactions energy: -138.094 where: short stacking energy: -63.559 Base-Backbone interact. energy: -0.005 local terms energy: -74.166296 where: bonds (distance) C4'-P energy: -16.784 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -15.378 flat angles P-C4'-P energy: -8.423 tors. eta vs tors. theta energy: -20.565 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: 9 ===================================== Write number: 467 Temperature: 0.950000 Total energy: -198.408572 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.408572 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.408572 (E_RNA) where: Base-Base interactions energy: -136.469 where: short stacking energy: -61.376 Base-Backbone interact. energy: -0.004 local terms energy: -61.934800 where: bonds (distance) C4'-P energy: -7.733 bonds (distance) P-C4' energy: -16.213 flat angles C4'-P-C4' energy: -14.360 flat angles P-C4'-P energy: -8.797 tors. eta vs tors. theta energy: -14.832 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 467 Temperature: 1.000000 Total energy: -206.415880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.415880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.415880 (E_RNA) where: Base-Base interactions energy: -133.033 where: short stacking energy: -60.804 Base-Backbone interact. energy: -0.271 local terms energy: -73.111226 where: bonds (distance) C4'-P energy: -15.679 bonds (distance) P-C4' energy: -16.214 flat angles C4'-P-C4' energy: -14.245 flat angles P-C4'-P energy: -7.704 tors. eta vs tors. theta energy: -19.270 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 467 Temperature: 1.050000 Total energy: -200.994797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.994797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.994797 (E_RNA) where: Base-Base interactions energy: -137.478 where: short stacking energy: -64.052 Base-Backbone interact. energy: -0.100 local terms energy: -63.416312 where: bonds (distance) C4'-P energy: -12.382 bonds (distance) P-C4' energy: -11.028 flat angles C4'-P-C4' energy: -14.919 flat angles P-C4'-P energy: -8.687 tors. eta vs tors. theta energy: -16.400 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 467 Temperature: 1.100000 Total energy: -191.634441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.634441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.634441 (E_RNA) where: Base-Base interactions energy: -126.913 where: short stacking energy: -55.849 Base-Backbone interact. energy: -0.034 local terms energy: -64.687412 where: bonds (distance) C4'-P energy: -9.713 bonds (distance) P-C4' energy: -12.131 flat angles C4'-P-C4' energy: -12.495 flat angles P-C4'-P energy: -11.211 tors. eta vs tors. theta energy: -19.138 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: 6, replica: 2 ===================================== Write number: 467 Temperature: 1.150000 Total energy: -184.246706 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.246706 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.246706 (E_RNA) where: Base-Base interactions energy: -121.294 where: short stacking energy: -52.180 Base-Backbone interact. energy: -0.016 local terms energy: -62.936497 where: bonds (distance) C4'-P energy: -14.553 bonds (distance) P-C4' energy: -12.391 flat angles C4'-P-C4' energy: -12.241 flat angles P-C4'-P energy: -9.683 tors. eta vs tors. theta energy: -14.069 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: 5 ===================================== Write number: 467 Temperature: 1.200000 Total energy: -170.427309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.427309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.427309 (E_RNA) where: Base-Base interactions energy: -114.947 where: short stacking energy: -50.546 Base-Backbone interact. energy: -0.983 local terms energy: -54.496810 where: bonds (distance) C4'-P energy: -11.157 bonds (distance) P-C4' energy: -10.573 flat angles C4'-P-C4' energy: -13.262 flat angles P-C4'-P energy: -1.682 tors. eta vs tors. theta energy: -17.822 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: 8, replica: 7 ===================================== Write number: 467 Temperature: 1.250000 Total energy: -168.384018 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.384018 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.384018 (E_RNA) where: Base-Base interactions energy: -107.736 where: short stacking energy: -49.655 Base-Backbone interact. energy: -0.726 local terms energy: -59.921626 where: bonds (distance) C4'-P energy: -14.523 bonds (distance) P-C4' energy: -10.891 flat angles C4'-P-C4' energy: -8.501 flat angles P-C4'-P energy: -12.528 tors. eta vs tors. theta energy: -13.479 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: 8 ===================================== Write number: 467 Temperature: 1.300000 Total energy: -77.733919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.733919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.733919 (E_RNA) where: Base-Base interactions energy: -27.485 where: short stacking energy: -27.485 Base-Backbone interact. energy: -0.366 local terms energy: -49.882764 where: bonds (distance) C4'-P energy: -15.741 bonds (distance) P-C4' energy: -11.209 flat angles C4'-P-C4' energy: -11.519 flat angles P-C4'-P energy: -1.516 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: 10, replica: 10 ===================================== Write number: 467 Temperature: 1.350000 Total energy: -81.067635 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.067635 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.067635 (E_RNA) where: Base-Base interactions energy: -28.017 where: short stacking energy: -28.017 Base-Backbone interact. energy: -0.056 local terms energy: -52.994712 where: bonds (distance) C4'-P energy: -11.701 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -12.301 flat angles P-C4'-P energy: -8.594 tors. eta vs tors. theta energy: -7.096 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 468 Temperature: 0.900000 Total energy: -210.918188 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.918188 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.918188 (E_RNA) where: Base-Base interactions energy: -147.770 where: short stacking energy: -64.157 Base-Backbone interact. energy: 0.221 local terms energy: -63.369038 where: bonds (distance) C4'-P energy: -15.695 bonds (distance) P-C4' energy: -11.048 flat angles C4'-P-C4' energy: -11.723 flat angles P-C4'-P energy: -9.271 tors. eta vs tors. theta energy: -15.632 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 468 Temperature: 0.950000 Total energy: -210.922694 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.922694 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.922694 (E_RNA) where: Base-Base interactions energy: -137.328 where: short stacking energy: -71.790 Base-Backbone interact. energy: -0.279 local terms energy: -73.315504 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -14.653 flat angles C4'-P-C4' energy: -16.280 flat angles P-C4'-P energy: -11.714 tors. eta vs tors. theta energy: -16.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 1 ===================================== Write number: 468 Temperature: 1.000000 Total energy: -199.202066 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.202066 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.202066 (E_RNA) where: Base-Base interactions energy: -137.040 where: short stacking energy: -66.303 Base-Backbone interact. energy: -0.007 local terms energy: -62.155174 where: bonds (distance) C4'-P energy: -8.787 bonds (distance) P-C4' energy: -12.600 flat angles C4'-P-C4' energy: -11.242 flat angles P-C4'-P energy: -10.495 tors. eta vs tors. theta energy: -19.032 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 468 Temperature: 1.050000 Total energy: -189.377606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.377606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.377606 (E_RNA) where: Base-Base interactions energy: -130.823 where: short stacking energy: -56.614 Base-Backbone interact. energy: 0.157 local terms energy: -58.710797 where: bonds (distance) C4'-P energy: -10.142 bonds (distance) P-C4' energy: -13.955 flat angles C4'-P-C4' energy: -13.106 flat angles P-C4'-P energy: -11.478 tors. eta vs tors. theta energy: -10.030 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 468 Temperature: 1.100000 Total energy: -197.275675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.275675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.275675 (E_RNA) where: Base-Base interactions energy: -127.567 where: short stacking energy: -52.343 Base-Backbone interact. energy: -0.804 local terms energy: -68.904427 where: bonds (distance) C4'-P energy: -10.743 bonds (distance) P-C4' energy: -15.375 flat angles C4'-P-C4' energy: -16.058 flat angles P-C4'-P energy: -13.102 tors. eta vs tors. theta energy: -13.627 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 468 Temperature: 1.150000 Total energy: -180.998660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.998660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.998660 (E_RNA) where: Base-Base interactions energy: -118.733 where: short stacking energy: -57.439 Base-Backbone interact. energy: -0.002 local terms energy: -62.263653 where: bonds (distance) C4'-P energy: -8.784 bonds (distance) P-C4' energy: -14.374 flat angles C4'-P-C4' energy: -14.333 flat angles P-C4'-P energy: -8.371 tors. eta vs tors. theta energy: -16.401 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 468 Temperature: 1.200000 Total energy: -181.607176 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.607176 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.607176 (E_RNA) where: Base-Base interactions energy: -118.565 where: short stacking energy: -63.103 Base-Backbone interact. energy: -0.033 local terms energy: -63.009181 where: bonds (distance) C4'-P energy: -10.840 bonds (distance) P-C4' energy: -15.313 flat angles C4'-P-C4' energy: -11.350 flat angles P-C4'-P energy: -9.107 tors. eta vs tors. theta energy: -16.400 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: 8, replica: 5 ===================================== Write number: 468 Temperature: 1.250000 Total energy: -167.139051 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.139051 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.139051 (E_RNA) where: Base-Base interactions energy: -107.567 where: short stacking energy: -47.097 Base-Backbone interact. energy: -1.194 local terms energy: -58.378279 where: bonds (distance) C4'-P energy: -10.988 bonds (distance) P-C4' energy: -13.797 flat angles C4'-P-C4' energy: -11.007 flat angles P-C4'-P energy: -10.705 tors. eta vs tors. theta energy: -11.881 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 468 Temperature: 1.300000 Total energy: -98.660943 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -98.660943 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -98.660943 (E_RNA) where: Base-Base interactions energy: -45.351 where: short stacking energy: -42.600 Base-Backbone interact. energy: -0.146 local terms energy: -53.163518 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -13.533 flat angles C4'-P-C4' energy: -11.048 flat angles P-C4'-P energy: -7.983 tors. eta vs tors. theta energy: -8.188 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 468 Temperature: 1.350000 Total energy: -71.882574 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.882574 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.882574 (E_RNA) where: Base-Base interactions energy: -22.860 where: short stacking energy: -22.439 Base-Backbone interact. energy: -0.147 local terms energy: -48.875454 where: bonds (distance) C4'-P energy: -12.515 bonds (distance) P-C4' energy: -13.368 flat angles C4'-P-C4' energy: -11.764 flat angles P-C4'-P energy: -11.057 tors. eta vs tors. theta energy: -0.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 469 Temperature: 0.900000 Total energy: -208.920034 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.920034 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.920034 (E_RNA) where: Base-Base interactions energy: -142.211 where: short stacking energy: -64.723 Base-Backbone interact. energy: -0.027 local terms energy: -66.681776 where: bonds (distance) C4'-P energy: -12.152 bonds (distance) P-C4' energy: -15.773 flat angles C4'-P-C4' energy: -11.731 flat angles P-C4'-P energy: -9.702 tors. eta vs tors. theta energy: -17.324 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: 2, replica: 1 ===================================== Write number: 469 Temperature: 0.950000 Total energy: -199.800859 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.800859 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.800859 (E_RNA) where: Base-Base interactions energy: -135.594 where: short stacking energy: -63.126 Base-Backbone interact. energy: -0.006 local terms energy: -64.200993 where: bonds (distance) C4'-P energy: -12.421 bonds (distance) P-C4' energy: -13.629 flat angles C4'-P-C4' energy: -12.794 flat angles P-C4'-P energy: -6.370 tors. eta vs tors. theta energy: -18.987 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: 3 ===================================== Write number: 469 Temperature: 1.000000 Total energy: -196.986869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.986869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.986869 (E_RNA) where: Base-Base interactions energy: -130.700 where: short stacking energy: -64.025 Base-Backbone interact. energy: -0.005 local terms energy: -66.282811 where: bonds (distance) C4'-P energy: -13.832 bonds (distance) P-C4' energy: -15.352 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -9.416 tors. eta vs tors. theta energy: -14.090 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 4 ===================================== Write number: 469 Temperature: 1.050000 Total energy: -195.450113 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.450113 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.450113 (E_RNA) where: Base-Base interactions energy: -128.797 where: short stacking energy: -60.299 Base-Backbone interact. energy: 0.140 local terms energy: -66.793386 where: bonds (distance) C4'-P energy: -11.891 bonds (distance) P-C4' energy: -13.254 flat angles C4'-P-C4' energy: -13.457 flat angles P-C4'-P energy: -13.208 tors. eta vs tors. theta energy: -14.983 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: 2 ===================================== Write number: 469 Temperature: 1.100000 Total energy: -192.116042 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.116042 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.116042 (E_RNA) where: Base-Base interactions energy: -133.045 where: short stacking energy: -61.817 Base-Backbone interact. energy: -0.044 local terms energy: -59.027398 where: bonds (distance) C4'-P energy: -10.864 bonds (distance) P-C4' energy: -11.679 flat angles C4'-P-C4' energy: -13.329 flat angles P-C4'-P energy: -9.837 tors. eta vs tors. theta energy: -13.318 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 469 Temperature: 1.150000 Total energy: -186.750441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.750441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.750441 (E_RNA) where: Base-Base interactions energy: -117.710 where: short stacking energy: -52.480 Base-Backbone interact. energy: -0.063 local terms energy: -68.977367 where: bonds (distance) C4'-P energy: -13.853 bonds (distance) P-C4' energy: -16.686 flat angles C4'-P-C4' energy: -16.620 flat angles P-C4'-P energy: -12.196 tors. eta vs tors. theta energy: -9.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 469 Temperature: 1.200000 Total energy: -174.480540 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.480540 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.480540 (E_RNA) where: Base-Base interactions energy: -121.031 where: short stacking energy: -48.765 Base-Backbone interact. energy: -0.303 local terms energy: -53.146355 where: bonds (distance) C4'-P energy: -10.572 bonds (distance) P-C4' energy: -9.434 flat angles C4'-P-C4' energy: -11.305 flat angles P-C4'-P energy: -7.376 tors. eta vs tors. theta energy: -14.461 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: 8, replica: 5 ===================================== Write number: 469 Temperature: 1.250000 Total energy: -159.596157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -159.596157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -159.596157 (E_RNA) where: Base-Base interactions energy: -110.046 where: short stacking energy: -47.620 Base-Backbone interact. energy: 0.194 local terms energy: -49.744585 where: bonds (distance) C4'-P energy: -15.537 bonds (distance) P-C4' energy: -9.924 flat angles C4'-P-C4' energy: -9.510 flat angles P-C4'-P energy: -4.615 tors. eta vs tors. theta energy: -10.159 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 469 Temperature: 1.300000 Total energy: -77.583989 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.583989 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.583989 (E_RNA) where: Base-Base interactions energy: -30.567 where: short stacking energy: -25.235 Base-Backbone interact. energy: -0.147 local terms energy: -46.869814 where: bonds (distance) C4'-P energy: -12.661 bonds (distance) P-C4' energy: -12.281 flat angles C4'-P-C4' energy: -12.394 flat angles P-C4'-P energy: -9.262 tors. eta vs tors. theta energy: -0.272 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 469 Temperature: 1.350000 Total energy: -71.511721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.511721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.511721 (E_RNA) where: Base-Base interactions energy: -26.201 where: short stacking energy: -18.801 Base-Backbone interact. energy: -0.779 local terms energy: -44.531875 where: bonds (distance) C4'-P energy: -13.646 bonds (distance) P-C4' energy: -11.420 flat angles C4'-P-C4' energy: -10.242 flat angles P-C4'-P energy: -11.402 tors. eta vs tors. theta energy: 2.178 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 470 Temperature: 0.900000 Total energy: -208.913318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.913318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.913318 (E_RNA) where: Base-Base interactions energy: -137.127 where: short stacking energy: -67.712 Base-Backbone interact. energy: -0.001 local terms energy: -71.786026 where: bonds (distance) C4'-P energy: -14.188 bonds (distance) P-C4' energy: -11.083 flat angles C4'-P-C4' energy: -15.232 flat angles P-C4'-P energy: -11.579 tors. eta vs tors. theta energy: -19.703 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 470 Temperature: 0.950000 Total energy: -192.195506 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.195506 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.195506 (E_RNA) where: Base-Base interactions energy: -124.385 where: short stacking energy: -56.582 Base-Backbone interact. energy: -0.655 local terms energy: -67.156257 where: bonds (distance) C4'-P energy: -11.534 bonds (distance) P-C4' energy: -15.233 flat angles C4'-P-C4' energy: -14.490 flat angles P-C4'-P energy: -10.829 tors. eta vs tors. theta energy: -15.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 470 Temperature: 1.000000 Total energy: -196.728994 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.728994 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.728994 (E_RNA) where: Base-Base interactions energy: -134.142 where: short stacking energy: -64.280 Base-Backbone interact. energy: -0.149 local terms energy: -62.438255 where: bonds (distance) C4'-P energy: -9.890 bonds (distance) P-C4' energy: -13.550 flat angles C4'-P-C4' energy: -11.771 flat angles P-C4'-P energy: -10.414 tors. eta vs tors. theta energy: -16.813 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 470 Temperature: 1.050000 Total energy: -196.265341 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.265341 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.265341 (E_RNA) where: Base-Base interactions energy: -126.059 where: short stacking energy: -64.319 Base-Backbone interact. energy: 0.434 local terms energy: -70.640386 where: bonds (distance) C4'-P energy: -13.529 bonds (distance) P-C4' energy: -13.866 flat angles C4'-P-C4' energy: -14.849 flat angles P-C4'-P energy: -8.469 tors. eta vs tors. theta energy: -19.928 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: 2 ===================================== Write number: 470 Temperature: 1.100000 Total energy: -180.523258 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.523258 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.523258 (E_RNA) where: Base-Base interactions energy: -115.169 where: short stacking energy: -53.384 Base-Backbone interact. energy: -0.134 local terms energy: -65.219871 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -10.158 flat angles P-C4'-P energy: -11.962 tors. eta vs tors. theta energy: -13.146 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 470 Temperature: 1.150000 Total energy: -181.376673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.376673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.376673 (E_RNA) where: Base-Base interactions energy: -116.142 where: short stacking energy: -54.086 Base-Backbone interact. energy: -0.000 local terms energy: -65.234575 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -13.718 flat angles C4'-P-C4' energy: -13.432 flat angles P-C4'-P energy: -8.903 tors. eta vs tors. theta energy: -16.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 470 Temperature: 1.200000 Total energy: -166.488218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.488218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.488218 (E_RNA) where: Base-Base interactions energy: -112.401 where: short stacking energy: -44.861 Base-Backbone interact. energy: -0.073 local terms energy: -54.013990 where: bonds (distance) C4'-P energy: -6.758 bonds (distance) P-C4' energy: -12.462 flat angles C4'-P-C4' energy: -14.170 flat angles P-C4'-P energy: -9.189 tors. eta vs tors. theta energy: -11.436 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: 8, replica: 6 ===================================== Write number: 470 Temperature: 1.250000 Total energy: -166.486074 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.486074 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.486074 (E_RNA) where: Base-Base interactions energy: -112.521 where: short stacking energy: -49.313 Base-Backbone interact. energy: -0.082 local terms energy: -53.883276 where: bonds (distance) C4'-P energy: -11.787 bonds (distance) P-C4' energy: -12.868 flat angles C4'-P-C4' energy: -10.581 flat angles P-C4'-P energy: -6.825 tors. eta vs tors. theta energy: -11.821 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 470 Temperature: 1.300000 Total energy: -74.249218 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.249218 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.249218 (E_RNA) where: Base-Base interactions energy: -27.562 where: short stacking energy: -28.262 Base-Backbone interact. energy: -0.255 local terms energy: -46.432050 where: bonds (distance) C4'-P energy: -10.815 bonds (distance) P-C4' energy: -14.613 flat angles C4'-P-C4' energy: -10.868 flat angles P-C4'-P energy: -8.046 tors. eta vs tors. theta energy: -2.089 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 470 Temperature: 1.350000 Total energy: -79.833331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.833331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.833331 (E_RNA) where: Base-Base interactions energy: -27.657 where: short stacking energy: -22.191 Base-Backbone interact. energy: -0.660 local terms energy: -51.516173 where: bonds (distance) C4'-P energy: -15.707 bonds (distance) P-C4' energy: -13.352 flat angles C4'-P-C4' energy: -11.662 flat angles P-C4'-P energy: -8.493 tors. eta vs tors. theta energy: -2.302 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 471 Temperature: 0.900000 Total energy: -209.685146 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.685146 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.685146 (E_RNA) where: Base-Base interactions energy: -138.151 where: short stacking energy: -58.453 Base-Backbone interact. energy: -0.029 local terms energy: -71.505038 where: bonds (distance) C4'-P energy: -14.088 bonds (distance) P-C4' energy: -15.276 flat angles C4'-P-C4' energy: -15.012 flat angles P-C4'-P energy: -11.132 tors. eta vs tors. theta energy: -15.996 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: 2, replica: 4 ===================================== Write number: 471 Temperature: 0.950000 Total energy: -190.468235 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.468235 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.468235 (E_RNA) where: Base-Base interactions energy: -128.592 where: short stacking energy: -52.531 Base-Backbone interact. energy: -0.232 local terms energy: -61.644853 where: bonds (distance) C4'-P energy: -12.545 bonds (distance) P-C4' energy: -11.962 flat angles C4'-P-C4' energy: -13.580 flat angles P-C4'-P energy: -9.500 tors. eta vs tors. theta energy: -14.057 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: 3, replica: 9 ===================================== Write number: 471 Temperature: 1.000000 Total energy: -192.954955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.954955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.954955 (E_RNA) where: Base-Base interactions energy: -122.344 where: short stacking energy: -55.952 Base-Backbone interact. energy: -0.108 local terms energy: -70.503281 where: bonds (distance) C4'-P energy: -14.738 bonds (distance) P-C4' energy: -15.516 flat angles C4'-P-C4' energy: -15.753 flat angles P-C4'-P energy: -9.425 tors. eta vs tors. theta energy: -15.071 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: 3 ===================================== Write number: 471 Temperature: 1.050000 Total energy: -186.900082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.900082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.900082 (E_RNA) where: Base-Base interactions energy: -125.877 where: short stacking energy: -60.584 Base-Backbone interact. energy: -0.003 local terms energy: -61.020813 where: bonds (distance) C4'-P energy: -10.181 bonds (distance) P-C4' energy: -13.137 flat angles C4'-P-C4' energy: -13.483 flat angles P-C4'-P energy: -9.230 tors. eta vs tors. theta energy: -14.990 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 471 Temperature: 1.100000 Total energy: -191.271239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.271239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.271239 (E_RNA) where: Base-Base interactions energy: -130.502 where: short stacking energy: -53.749 Base-Backbone interact. energy: -0.003 local terms energy: -60.766534 where: bonds (distance) C4'-P energy: -12.918 bonds (distance) P-C4' energy: -12.588 flat angles C4'-P-C4' energy: -10.839 flat angles P-C4'-P energy: -7.789 tors. eta vs tors. theta energy: -16.633 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 471 Temperature: 1.150000 Total energy: -184.981268 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.981268 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.981268 (E_RNA) where: Base-Base interactions energy: -122.789 where: short stacking energy: -60.564 Base-Backbone interact. energy: -0.179 local terms energy: -62.013523 where: bonds (distance) C4'-P energy: -12.234 bonds (distance) P-C4' energy: -13.188 flat angles C4'-P-C4' energy: -12.338 flat angles P-C4'-P energy: -6.403 tors. eta vs tors. theta energy: -17.851 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 471 Temperature: 1.200000 Total energy: -189.068876 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.068876 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.068876 (E_RNA) where: Base-Base interactions energy: -123.189 where: short stacking energy: -63.168 Base-Backbone interact. energy: -0.017 local terms energy: -65.862345 where: bonds (distance) C4'-P energy: -12.048 bonds (distance) P-C4' energy: -16.429 flat angles C4'-P-C4' energy: -14.094 flat angles P-C4'-P energy: -4.995 tors. eta vs tors. theta energy: -18.297 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 471 Temperature: 1.250000 Total energy: -175.140832 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.140832 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.140832 (E_RNA) where: Base-Base interactions energy: -111.362 where: short stacking energy: -53.556 Base-Backbone interact. energy: -0.047 local terms energy: -63.731924 where: bonds (distance) C4'-P energy: -13.211 bonds (distance) P-C4' energy: -13.902 flat angles C4'-P-C4' energy: -14.713 flat angles P-C4'-P energy: -9.450 tors. eta vs tors. theta energy: -12.456 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: 8 ===================================== Write number: 471 Temperature: 1.300000 Total energy: -86.239918 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.239918 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.239918 (E_RNA) where: Base-Base interactions energy: -46.889 where: short stacking energy: -22.473 Base-Backbone interact. energy: -0.148 local terms energy: -39.202759 where: bonds (distance) C4'-P energy: -10.960 bonds (distance) P-C4' energy: -15.007 flat angles C4'-P-C4' energy: -5.861 flat angles P-C4'-P energy: -2.633 tors. eta vs tors. theta energy: -4.741 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 471 Temperature: 1.350000 Total energy: -69.480735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.480735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.480735 (E_RNA) where: Base-Base interactions energy: -26.431 where: short stacking energy: -18.689 Base-Backbone interact. energy: -0.260 local terms energy: -42.789924 where: bonds (distance) C4'-P energy: -7.887 bonds (distance) P-C4' energy: -16.308 flat angles C4'-P-C4' energy: -12.211 flat angles P-C4'-P energy: -8.785 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: 1, replica: 1 ===================================== Write number: 472 Temperature: 0.900000 Total energy: -209.074642 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.074642 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.074642 (E_RNA) where: Base-Base interactions energy: -139.217 where: short stacking energy: -65.552 Base-Backbone interact. energy: -0.005 local terms energy: -69.853444 where: bonds (distance) C4'-P energy: -12.643 bonds (distance) P-C4' energy: -11.743 flat angles C4'-P-C4' energy: -15.298 flat angles P-C4'-P energy: -9.501 tors. eta vs tors. theta energy: -20.668 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: 472 Temperature: 0.950000 Total energy: -206.020535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.020535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.020535 (E_RNA) where: Base-Base interactions energy: -147.002 where: short stacking energy: -63.511 Base-Backbone interact. energy: 0.447 local terms energy: -59.465624 where: bonds (distance) C4'-P energy: -8.379 bonds (distance) P-C4' energy: -12.936 flat angles C4'-P-C4' energy: -6.034 flat angles P-C4'-P energy: -13.831 tors. eta vs tors. theta energy: -18.286 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: 3 ===================================== Write number: 472 Temperature: 1.000000 Total energy: -206.211606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.211606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.211606 (E_RNA) where: Base-Base interactions energy: -135.142 where: short stacking energy: -59.248 Base-Backbone interact. energy: -0.060 local terms energy: -71.009974 where: bonds (distance) C4'-P energy: -14.929 bonds (distance) P-C4' energy: -13.968 flat angles C4'-P-C4' energy: -14.214 flat angles P-C4'-P energy: -11.106 tors. eta vs tors. theta energy: -16.793 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 472 Temperature: 1.050000 Total energy: -189.810840 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.810840 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.810840 (E_RNA) where: Base-Base interactions energy: -127.631 where: short stacking energy: -54.570 Base-Backbone interact. energy: -0.155 local terms energy: -62.024507 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -15.973 flat angles C4'-P-C4' energy: -10.681 flat angles P-C4'-P energy: -10.183 tors. eta vs tors. theta energy: -13.098 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 472 Temperature: 1.100000 Total energy: -194.765566 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.765566 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.765566 (E_RNA) where: Base-Base interactions energy: -126.430 where: short stacking energy: -63.068 Base-Backbone interact. energy: -0.345 local terms energy: -67.990610 where: bonds (distance) C4'-P energy: -14.064 bonds (distance) P-C4' energy: -14.814 flat angles C4'-P-C4' energy: -11.932 flat angles P-C4'-P energy: -9.478 tors. eta vs tors. theta energy: -17.704 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 472 Temperature: 1.150000 Total energy: -198.921979 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.921979 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.921979 (E_RNA) where: Base-Base interactions energy: -130.792 where: short stacking energy: -65.019 Base-Backbone interact. energy: -0.000 local terms energy: -68.129289 where: bonds (distance) C4'-P energy: -9.782 bonds (distance) P-C4' energy: -14.212 flat angles C4'-P-C4' energy: -10.907 flat angles P-C4'-P energy: -12.109 tors. eta vs tors. theta energy: -21.118 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 472 Temperature: 1.200000 Total energy: -188.244104 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.244104 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.244104 (E_RNA) where: Base-Base interactions energy: -128.094 where: short stacking energy: -50.946 Base-Backbone interact. energy: -0.001 local terms energy: -60.149063 where: bonds (distance) C4'-P energy: -12.925 bonds (distance) P-C4' energy: -6.033 flat angles C4'-P-C4' energy: -13.987 flat angles P-C4'-P energy: -10.079 tors. eta vs tors. theta energy: -17.126 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 472 Temperature: 1.250000 Total energy: -172.073140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.073140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.073140 (E_RNA) where: Base-Base interactions energy: -115.815 where: short stacking energy: -51.601 Base-Backbone interact. energy: -0.057 local terms energy: -56.201847 where: bonds (distance) C4'-P energy: -13.323 bonds (distance) P-C4' energy: -8.410 flat angles C4'-P-C4' energy: -16.091 flat angles P-C4'-P energy: -8.022 tors. eta vs tors. theta energy: -10.356 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 472 Temperature: 1.300000 Total energy: -82.057419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.057419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.057419 (E_RNA) where: Base-Base interactions energy: -33.451 where: short stacking energy: -31.658 Base-Backbone interact. energy: -0.065 local terms energy: -48.541717 where: bonds (distance) C4'-P energy: -9.548 bonds (distance) P-C4' energy: -13.156 flat angles C4'-P-C4' energy: -13.156 flat angles P-C4'-P energy: -9.084 tors. eta vs tors. theta energy: -3.598 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 472 Temperature: 1.350000 Total energy: -74.859899 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.859899 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.859899 (E_RNA) where: Base-Base interactions energy: -30.768 where: short stacking energy: -28.061 Base-Backbone interact. energy: 0.873 local terms energy: -44.964240 where: bonds (distance) C4'-P energy: -14.080 bonds (distance) P-C4' energy: -13.113 flat angles C4'-P-C4' energy: -8.941 flat angles P-C4'-P energy: -5.387 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: 1, replica: 1 ===================================== Write number: 473 Temperature: 0.900000 Total energy: -207.683675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.683675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.683675 (E_RNA) where: Base-Base interactions energy: -139.088 where: short stacking energy: -61.330 Base-Backbone interact. energy: -0.007 local terms energy: -68.588771 where: bonds (distance) C4'-P energy: -13.187 bonds (distance) P-C4' energy: -15.554 flat angles C4'-P-C4' energy: -14.299 flat angles P-C4'-P energy: -8.602 tors. eta vs tors. theta energy: -16.947 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 473 Temperature: 0.950000 Total energy: -209.495518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.495518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.495518 (E_RNA) where: Base-Base interactions energy: -137.404 where: short stacking energy: -61.141 Base-Backbone interact. energy: -0.032 local terms energy: -72.059958 where: bonds (distance) C4'-P energy: -14.093 bonds (distance) P-C4' energy: -15.476 flat angles C4'-P-C4' energy: -13.271 flat angles P-C4'-P energy: -10.825 tors. eta vs tors. theta energy: -18.395 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 473 Temperature: 1.000000 Total energy: -199.635914 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.635914 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.635914 (E_RNA) where: Base-Base interactions energy: -133.420 where: short stacking energy: -67.522 Base-Backbone interact. energy: -0.007 local terms energy: -66.208801 where: bonds (distance) C4'-P energy: -12.150 bonds (distance) P-C4' energy: -15.666 flat angles C4'-P-C4' energy: -11.679 flat angles P-C4'-P energy: -9.274 tors. eta vs tors. theta energy: -17.439 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 7 ===================================== Write number: 473 Temperature: 1.050000 Total energy: -207.839437 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.839437 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.839437 (E_RNA) where: Base-Base interactions energy: -138.370 where: short stacking energy: -67.022 Base-Backbone interact. energy: -0.007 local terms energy: -69.462738 where: bonds (distance) C4'-P energy: -13.447 bonds (distance) P-C4' energy: -13.546 flat angles C4'-P-C4' energy: -14.560 flat angles P-C4'-P energy: -9.528 tors. eta vs tors. theta energy: -18.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 473 Temperature: 1.100000 Total energy: -187.504934 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.504934 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.504934 (E_RNA) where: Base-Base interactions energy: -124.835 where: short stacking energy: -61.378 Base-Backbone interact. energy: -0.007 local terms energy: -62.663044 where: bonds (distance) C4'-P energy: -11.861 bonds (distance) P-C4' energy: -13.328 flat angles C4'-P-C4' energy: -14.377 flat angles P-C4'-P energy: -7.918 tors. eta vs tors. theta energy: -15.179 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 473 Temperature: 1.150000 Total energy: -178.398911 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.398911 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.398911 (E_RNA) where: Base-Base interactions energy: -123.941 where: short stacking energy: -56.591 Base-Backbone interact. energy: -0.191 local terms energy: -54.266669 where: bonds (distance) C4'-P energy: -10.819 bonds (distance) P-C4' energy: -8.514 flat angles C4'-P-C4' energy: -13.212 flat angles P-C4'-P energy: -6.781 tors. eta vs tors. theta energy: -14.941 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 473 Temperature: 1.200000 Total energy: -173.179140 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.179140 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.179140 (E_RNA) where: Base-Base interactions energy: -112.794 where: short stacking energy: -58.771 Base-Backbone interact. energy: -0.245 local terms energy: -60.140437 where: bonds (distance) C4'-P energy: -10.955 bonds (distance) P-C4' energy: -12.380 flat angles C4'-P-C4' energy: -12.251 flat angles P-C4'-P energy: -8.401 tors. eta vs tors. theta energy: -16.154 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 473 Temperature: 1.250000 Total energy: -173.851919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.851919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.851919 (E_RNA) where: Base-Base interactions energy: -116.254 where: short stacking energy: -54.039 Base-Backbone interact. energy: -0.046 local terms energy: -57.551047 where: bonds (distance) C4'-P energy: -11.113 bonds (distance) P-C4' energy: -14.476 flat angles C4'-P-C4' energy: -10.752 flat angles P-C4'-P energy: -5.189 tors. eta vs tors. theta energy: -16.021 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 473 Temperature: 1.300000 Total energy: -71.177310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.177310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.177310 (E_RNA) where: Base-Base interactions energy: -22.922 where: short stacking energy: -20.184 Base-Backbone interact. energy: -0.140 local terms energy: -48.115190 where: bonds (distance) C4'-P energy: -12.387 bonds (distance) P-C4' energy: -9.414 flat angles C4'-P-C4' energy: -15.576 flat angles P-C4'-P energy: -6.175 tors. eta vs tors. theta energy: -4.563 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 473 Temperature: 1.350000 Total energy: -67.924584 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -67.924584 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -67.924584 (E_RNA) where: Base-Base interactions energy: -30.134 where: short stacking energy: -30.134 Base-Backbone interact. energy: -0.054 local terms energy: -37.736377 where: bonds (distance) C4'-P energy: -15.314 bonds (distance) P-C4' energy: -11.696 flat angles C4'-P-C4' energy: -8.352 flat angles P-C4'-P energy: -0.720 tors. eta vs tors. theta energy: -1.655 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 474 Temperature: 0.900000 Total energy: -209.001163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.001163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.001163 (E_RNA) where: Base-Base interactions energy: -138.721 where: short stacking energy: -62.398 Base-Backbone interact. energy: -0.012 local terms energy: -70.268815 where: bonds (distance) C4'-P energy: -11.874 bonds (distance) P-C4' energy: -15.830 flat angles C4'-P-C4' energy: -14.484 flat angles P-C4'-P energy: -9.978 tors. eta vs tors. theta energy: -18.103 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: 4 ===================================== Write number: 474 Temperature: 0.950000 Total energy: -211.406518 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.406518 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.406518 (E_RNA) where: Base-Base interactions energy: -141.884 where: short stacking energy: -67.334 Base-Backbone interact. energy: -0.216 local terms energy: -69.306812 where: bonds (distance) C4'-P energy: -14.279 bonds (distance) P-C4' energy: -13.663 flat angles C4'-P-C4' energy: -12.954 flat angles P-C4'-P energy: -8.333 tors. eta vs tors. theta energy: -20.078 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 474 Temperature: 1.000000 Total energy: -201.450298 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.450298 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.450298 (E_RNA) where: Base-Base interactions energy: -136.865 where: short stacking energy: -65.239 Base-Backbone interact. energy: -0.000 local terms energy: -64.585472 where: bonds (distance) C4'-P energy: -9.993 bonds (distance) P-C4' energy: -10.401 flat angles C4'-P-C4' energy: -15.049 flat angles P-C4'-P energy: -10.188 tors. eta vs tors. theta energy: -18.955 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 474 Temperature: 1.050000 Total energy: -184.399441 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.399441 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.399441 (E_RNA) where: Base-Base interactions energy: -116.656 where: short stacking energy: -53.235 Base-Backbone interact. energy: -0.517 local terms energy: -67.226810 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -14.631 flat angles C4'-P-C4' energy: -14.808 flat angles P-C4'-P energy: -10.151 tors. eta vs tors. theta energy: -14.048 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 9 ===================================== Write number: 474 Temperature: 1.100000 Total energy: -187.172868 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.172868 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.172868 (E_RNA) where: Base-Base interactions energy: -123.528 where: short stacking energy: -62.451 Base-Backbone interact. energy: -0.010 local terms energy: -63.634600 where: bonds (distance) C4'-P energy: -11.357 bonds (distance) P-C4' energy: -14.357 flat angles C4'-P-C4' energy: -11.500 flat angles P-C4'-P energy: -8.854 tors. eta vs tors. theta energy: -17.567 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 474 Temperature: 1.150000 Total energy: -182.990639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.990639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.990639 (E_RNA) where: Base-Base interactions energy: -119.609 where: short stacking energy: -60.654 Base-Backbone interact. energy: -0.291 local terms energy: -63.089771 where: bonds (distance) C4'-P energy: -11.368 bonds (distance) P-C4' energy: -9.948 flat angles C4'-P-C4' energy: -12.192 flat angles P-C4'-P energy: -9.073 tors. eta vs tors. theta energy: -20.508 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 474 Temperature: 1.200000 Total energy: -173.062639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.062639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.062639 (E_RNA) where: Base-Base interactions energy: -112.422 where: short stacking energy: -47.326 Base-Backbone interact. energy: -0.019 local terms energy: -60.621820 where: bonds (distance) C4'-P energy: -13.012 bonds (distance) P-C4' energy: -14.537 flat angles C4'-P-C4' energy: -14.551 flat angles P-C4'-P energy: -2.088 tors. eta vs tors. theta energy: -16.434 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: 2 ===================================== Write number: 474 Temperature: 1.250000 Total energy: -172.761344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.761344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.761344 (E_RNA) where: Base-Base interactions energy: -114.318 where: short stacking energy: -49.345 Base-Backbone interact. energy: -0.426 local terms energy: -58.017414 where: bonds (distance) C4'-P energy: -4.225 bonds (distance) P-C4' energy: -14.685 flat angles C4'-P-C4' energy: -13.046 flat angles P-C4'-P energy: -10.874 tors. eta vs tors. theta energy: -15.187 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 474 Temperature: 1.300000 Total energy: -72.995648 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.995648 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.995648 (E_RNA) where: Base-Base interactions energy: -29.532 where: short stacking energy: -19.669 Base-Backbone interact. energy: -0.155 local terms energy: -43.309095 where: bonds (distance) C4'-P energy: -13.334 bonds (distance) P-C4' energy: -11.344 flat angles C4'-P-C4' energy: -10.379 flat angles P-C4'-P energy: -10.560 tors. eta vs tors. theta energy: 2.309 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 474 Temperature: 1.350000 Total energy: -84.631295 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.631295 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.631295 (E_RNA) where: Base-Base interactions energy: -37.421 where: short stacking energy: -37.421 Base-Backbone interact. energy: -0.162 local terms energy: -47.048066 where: bonds (distance) C4'-P energy: -8.930 bonds (distance) P-C4' energy: -8.820 flat angles C4'-P-C4' energy: -14.016 flat angles P-C4'-P energy: -8.309 tors. eta vs tors. theta energy: -6.973 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 475 Temperature: 0.900000 Total energy: -218.371503 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -218.371503 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -218.371503 (E_RNA) where: Base-Base interactions energy: -144.682 where: short stacking energy: -67.011 Base-Backbone interact. energy: -0.004 local terms energy: -73.685430 where: bonds (distance) C4'-P energy: -14.891 bonds (distance) P-C4' energy: -15.830 flat angles C4'-P-C4' energy: -14.624 flat angles P-C4'-P energy: -8.539 tors. eta vs tors. theta energy: -19.801 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 475 Temperature: 0.950000 Total energy: -206.508082 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.508082 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.508082 (E_RNA) where: Base-Base interactions energy: -136.280 where: short stacking energy: -60.801 Base-Backbone interact. energy: -0.017 local terms energy: -70.210783 where: bonds (distance) C4'-P energy: -12.570 bonds (distance) P-C4' energy: -15.948 flat angles C4'-P-C4' energy: -12.302 flat angles P-C4'-P energy: -12.919 tors. eta vs tors. theta energy: -16.471 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 475 Temperature: 1.000000 Total energy: -195.591695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.591695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.591695 (E_RNA) where: Base-Base interactions energy: -127.710 where: short stacking energy: -56.651 Base-Backbone interact. energy: -0.254 local terms energy: -67.628063 where: bonds (distance) C4'-P energy: -13.103 bonds (distance) P-C4' energy: -15.960 flat angles C4'-P-C4' energy: -13.600 flat angles P-C4'-P energy: -11.104 tors. eta vs tors. theta energy: -13.862 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 475 Temperature: 1.050000 Total energy: -201.118317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.118317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.118317 (E_RNA) where: Base-Base interactions energy: -132.859 where: short stacking energy: -62.980 Base-Backbone interact. energy: -0.028 local terms energy: -68.231103 where: bonds (distance) C4'-P energy: -10.543 bonds (distance) P-C4' energy: -15.662 flat angles C4'-P-C4' energy: -14.684 flat angles P-C4'-P energy: -8.588 tors. eta vs tors. theta energy: -18.754 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 3 ===================================== Write number: 475 Temperature: 1.100000 Total energy: -189.003973 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.003973 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.003973 (E_RNA) where: Base-Base interactions energy: -127.270 where: short stacking energy: -47.383 Base-Backbone interact. energy: -0.445 local terms energy: -61.289416 where: bonds (distance) C4'-P energy: -14.366 bonds (distance) P-C4' energy: -13.279 flat angles C4'-P-C4' energy: -12.859 flat angles P-C4'-P energy: -10.723 tors. eta vs tors. theta energy: -10.063 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 475 Temperature: 1.150000 Total energy: -190.201388 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.201388 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.201388 (E_RNA) where: Base-Base interactions energy: -125.998 where: short stacking energy: -58.354 Base-Backbone interact. energy: 0.021 local terms energy: -64.225107 where: bonds (distance) C4'-P energy: -14.619 bonds (distance) P-C4' energy: -10.492 flat angles C4'-P-C4' energy: -13.184 flat angles P-C4'-P energy: -10.801 tors. eta vs tors. theta energy: -15.129 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: 475 Temperature: 1.200000 Total energy: -166.847957 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -166.847957 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -166.847957 (E_RNA) where: Base-Base interactions energy: -105.668 where: short stacking energy: -40.560 Base-Backbone interact. energy: -0.034 local terms energy: -61.145535 where: bonds (distance) C4'-P energy: -9.879 bonds (distance) P-C4' energy: -14.333 flat angles C4'-P-C4' energy: -13.717 flat angles P-C4'-P energy: -10.835 tors. eta vs tors. theta energy: -12.382 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 475 Temperature: 1.250000 Total energy: -183.491575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.491575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.491575 (E_RNA) where: Base-Base interactions energy: -116.000 where: short stacking energy: -54.937 Base-Backbone interact. energy: -0.023 local terms energy: -67.469188 where: bonds (distance) C4'-P energy: -12.599 bonds (distance) P-C4' energy: -14.187 flat angles C4'-P-C4' energy: -14.165 flat angles P-C4'-P energy: -11.367 tors. eta vs tors. theta energy: -15.152 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 475 Temperature: 1.300000 Total energy: -79.158952 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.158952 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.158952 (E_RNA) where: Base-Base interactions energy: -32.564 where: short stacking energy: -32.564 Base-Backbone interact. energy: 0.757 local terms energy: -47.352428 where: bonds (distance) C4'-P energy: -11.766 bonds (distance) P-C4' energy: -10.658 flat angles C4'-P-C4' energy: -11.912 flat angles P-C4'-P energy: -5.902 tors. eta vs tors. theta energy: -7.113 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 475 Temperature: 1.350000 Total energy: -68.731517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.731517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.731517 (E_RNA) where: Base-Base interactions energy: -20.271 where: short stacking energy: -20.052 Base-Backbone interact. energy: -0.038 local terms energy: -48.422969 where: bonds (distance) C4'-P energy: -14.371 bonds (distance) P-C4' energy: -14.398 flat angles C4'-P-C4' energy: -11.554 flat angles P-C4'-P energy: -7.683 tors. eta vs tors. theta energy: -0.417 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: 1 ===================================== Write number: 476 Temperature: 0.900000 Total energy: -211.960257 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.960257 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.960257 (E_RNA) where: Base-Base interactions energy: -137.145 where: short stacking energy: -61.030 Base-Backbone interact. energy: -0.046 local terms energy: -74.769033 where: bonds (distance) C4'-P energy: -13.153 bonds (distance) P-C4' energy: -15.631 flat angles C4'-P-C4' energy: -15.383 flat angles P-C4'-P energy: -12.501 tors. eta vs tors. theta energy: -18.101 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: 4 ===================================== Write number: 476 Temperature: 0.950000 Total energy: -205.497718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.497718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.497718 (E_RNA) where: Base-Base interactions energy: -132.246 where: short stacking energy: -58.988 Base-Backbone interact. energy: -0.005 local terms energy: -73.246880 where: bonds (distance) C4'-P energy: -12.632 bonds (distance) P-C4' energy: -15.188 flat angles C4'-P-C4' energy: -14.572 flat angles P-C4'-P energy: -12.264 tors. eta vs tors. theta energy: -18.591 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: 3, replica: 7 ===================================== Write number: 476 Temperature: 1.000000 Total energy: -205.037186 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.037186 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.037186 (E_RNA) where: Base-Base interactions energy: -136.213 where: short stacking energy: -59.821 Base-Backbone interact. energy: 0.066 local terms energy: -68.889839 where: bonds (distance) C4'-P energy: -15.795 bonds (distance) P-C4' energy: -14.486 flat angles C4'-P-C4' energy: -13.239 flat angles P-C4'-P energy: -7.576 tors. eta vs tors. theta energy: -17.794 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: 9 ===================================== Write number: 476 Temperature: 1.050000 Total energy: -195.230412 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.230412 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.230412 (E_RNA) where: Base-Base interactions energy: -126.316 where: short stacking energy: -52.796 Base-Backbone interact. energy: -0.002 local terms energy: -68.912224 where: bonds (distance) C4'-P energy: -14.002 bonds (distance) P-C4' energy: -14.466 flat angles C4'-P-C4' energy: -12.191 flat angles P-C4'-P energy: -9.849 tors. eta vs tors. theta energy: -18.404 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: 476 Temperature: 1.100000 Total energy: -186.625171 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.625171 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.625171 (E_RNA) where: Base-Base interactions energy: -126.937 where: short stacking energy: -52.251 Base-Backbone interact. energy: -0.611 local terms energy: -59.076690 where: bonds (distance) C4'-P energy: -7.651 bonds (distance) P-C4' energy: -15.444 flat angles C4'-P-C4' energy: -13.777 flat angles P-C4'-P energy: -10.607 tors. eta vs tors. theta energy: -11.597 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: 476 Temperature: 1.150000 Total energy: -173.832013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.832013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.832013 (E_RNA) where: Base-Base interactions energy: -110.877 where: short stacking energy: -55.150 Base-Backbone interact. energy: -0.065 local terms energy: -62.889751 where: bonds (distance) C4'-P energy: -7.956 bonds (distance) P-C4' energy: -14.681 flat angles C4'-P-C4' energy: -14.774 flat angles P-C4'-P energy: -10.881 tors. eta vs tors. theta energy: -14.598 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: 2 ===================================== Write number: 476 Temperature: 1.200000 Total energy: -182.053930 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.053930 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.053930 (E_RNA) where: Base-Base interactions energy: -115.868 where: short stacking energy: -50.410 Base-Backbone interact. energy: -0.216 local terms energy: -65.970240 where: bonds (distance) C4'-P energy: -13.514 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -15.280 flat angles P-C4'-P energy: -9.490 tors. eta vs tors. theta energy: -13.049 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 6 ===================================== Write number: 476 Temperature: 1.250000 Total energy: -154.378901 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -154.378901 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -154.378901 (E_RNA) where: Base-Base interactions energy: -100.763 where: short stacking energy: -41.111 Base-Backbone interact. energy: -0.020 local terms energy: -53.595986 where: bonds (distance) C4'-P energy: -13.682 bonds (distance) P-C4' energy: -9.684 flat angles C4'-P-C4' energy: -12.588 flat angles P-C4'-P energy: -11.463 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: 9, replica: 8 ===================================== Write number: 476 Temperature: 1.300000 Total energy: -79.322089 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.322089 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.322089 (E_RNA) where: Base-Base interactions energy: -27.210 where: short stacking energy: -27.210 Base-Backbone interact. energy: -0.001 local terms energy: -52.111099 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -14.656 flat angles C4'-P-C4' energy: -10.582 flat angles P-C4'-P energy: -10.389 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: 10, replica: 10 ===================================== Write number: 476 Temperature: 1.350000 Total energy: -70.133892 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.133892 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.133892 (E_RNA) where: Base-Base interactions energy: -33.458 where: short stacking energy: -33.458 Base-Backbone interact. energy: -0.160 local terms energy: -36.515597 where: bonds (distance) C4'-P energy: -12.205 bonds (distance) P-C4' energy: -2.731 flat angles C4'-P-C4' energy: -7.827 flat angles P-C4'-P energy: -8.259 tors. eta vs tors. theta energy: -5.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 1 ===================================== Write number: 477 Temperature: 0.900000 Total energy: -207.818325 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.818325 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.818325 (E_RNA) where: Base-Base interactions energy: -137.250 where: short stacking energy: -58.778 Base-Backbone interact. energy: -0.083 local terms energy: -70.485828 where: bonds (distance) C4'-P energy: -12.308 bonds (distance) P-C4' energy: -12.454 flat angles C4'-P-C4' energy: -14.173 flat angles P-C4'-P energy: -13.314 tors. eta vs tors. theta energy: -18.237 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: 7 ===================================== Write number: 477 Temperature: 0.950000 Total energy: -198.875742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.875742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.875742 (E_RNA) where: Base-Base interactions energy: -128.276 where: short stacking energy: -51.672 Base-Backbone interact. energy: -0.006 local terms energy: -70.594062 where: bonds (distance) C4'-P energy: -15.935 bonds (distance) P-C4' energy: -13.983 flat angles C4'-P-C4' energy: -11.485 flat angles P-C4'-P energy: -10.604 tors. eta vs tors. theta energy: -18.587 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: 4 ===================================== Write number: 477 Temperature: 1.000000 Total energy: -199.948662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.948662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.948662 (E_RNA) where: Base-Base interactions energy: -129.723 where: short stacking energy: -60.522 Base-Backbone interact. energy: -0.003 local terms energy: -70.223311 where: bonds (distance) C4'-P energy: -11.042 bonds (distance) P-C4' energy: -14.551 flat angles C4'-P-C4' energy: -14.536 flat angles P-C4'-P energy: -12.137 tors. eta vs tors. theta energy: -17.958 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 477 Temperature: 1.050000 Total energy: -189.949065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.949065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.949065 (E_RNA) where: Base-Base interactions energy: -123.917 where: short stacking energy: -58.419 Base-Backbone interact. energy: -0.110 local terms energy: -65.922522 where: bonds (distance) C4'-P energy: -10.893 bonds (distance) P-C4' energy: -15.956 flat angles C4'-P-C4' energy: -11.679 flat angles P-C4'-P energy: -10.204 tors. eta vs tors. theta energy: -17.190 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 477 Temperature: 1.100000 Total energy: -194.127705 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.127705 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.127705 (E_RNA) where: Base-Base interactions energy: -133.413 where: short stacking energy: -59.212 Base-Backbone interact. energy: -0.031 local terms energy: -60.683545 where: bonds (distance) C4'-P energy: -12.560 bonds (distance) P-C4' energy: -10.527 flat angles C4'-P-C4' energy: -12.164 flat angles P-C4'-P energy: -9.040 tors. eta vs tors. theta energy: -16.392 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 477 Temperature: 1.150000 Total energy: -182.362255 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.362255 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.362255 (E_RNA) where: Base-Base interactions energy: -122.131 where: short stacking energy: -50.380 Base-Backbone interact. energy: -0.004 local terms energy: -60.227122 where: bonds (distance) C4'-P energy: -12.917 bonds (distance) P-C4' energy: -13.525 flat angles C4'-P-C4' energy: -11.278 flat angles P-C4'-P energy: -9.587 tors. eta vs tors. theta energy: -12.920 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: 3 ===================================== Write number: 477 Temperature: 1.200000 Total energy: -174.068953 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.068953 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.068953 (E_RNA) where: Base-Base interactions energy: -116.239 where: short stacking energy: -49.729 Base-Backbone interact. energy: -0.233 local terms energy: -57.596701 where: bonds (distance) C4'-P energy: -11.965 bonds (distance) P-C4' energy: -13.056 flat angles C4'-P-C4' energy: -11.271 flat angles P-C4'-P energy: -10.994 tors. eta vs tors. theta energy: -10.310 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: 6 ===================================== Write number: 477 Temperature: 1.250000 Total energy: -161.414396 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.414396 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.414396 (E_RNA) where: Base-Base interactions energy: -103.813 where: short stacking energy: -47.093 Base-Backbone interact. energy: -0.576 local terms energy: -57.025822 where: bonds (distance) C4'-P energy: -14.577 bonds (distance) P-C4' energy: -15.392 flat angles C4'-P-C4' energy: -7.924 flat angles P-C4'-P energy: -7.356 tors. eta vs tors. theta energy: -11.777 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 477 Temperature: 1.300000 Total energy: -73.418571 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.418571 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.418571 (E_RNA) where: Base-Base interactions energy: -31.576 where: short stacking energy: -31.576 Base-Backbone interact. energy: -0.267 local terms energy: -41.575517 where: bonds (distance) C4'-P energy: -10.817 bonds (distance) P-C4' energy: -13.303 flat angles C4'-P-C4' energy: -9.455 flat angles P-C4'-P energy: -4.421 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: 10, replica: 10 ===================================== Write number: 477 Temperature: 1.350000 Total energy: -69.880570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.880570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.880570 (E_RNA) where: Base-Base interactions energy: -25.580 where: short stacking energy: -25.580 Base-Backbone interact. energy: -0.133 local terms energy: -44.168139 where: bonds (distance) C4'-P energy: -13.305 bonds (distance) P-C4' energy: -11.252 flat angles C4'-P-C4' energy: -11.398 flat angles P-C4'-P energy: -4.922 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: 1, replica: 7 ===================================== Write number: 478 Temperature: 0.900000 Total energy: -206.234606 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.234606 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.234606 (E_RNA) where: Base-Base interactions energy: -133.465 where: short stacking energy: -56.908 Base-Backbone interact. energy: -0.023 local terms energy: -72.746508 where: bonds (distance) C4'-P energy: -15.045 bonds (distance) P-C4' energy: -14.032 flat angles C4'-P-C4' energy: -16.749 flat angles P-C4'-P energy: -9.944 tors. eta vs tors. theta energy: -16.977 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 1 ===================================== Write number: 478 Temperature: 0.950000 Total energy: -208.079657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.079657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.079657 (E_RNA) where: Base-Base interactions energy: -134.420 where: short stacking energy: -64.915 Base-Backbone interact. energy: -0.164 local terms energy: -73.495093 where: bonds (distance) C4'-P energy: -12.639 bonds (distance) P-C4' energy: -16.911 flat angles C4'-P-C4' energy: -12.496 flat angles P-C4'-P energy: -12.488 tors. eta vs tors. theta energy: -18.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 478 Temperature: 1.000000 Total energy: -194.278922 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.278922 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.278922 (E_RNA) where: Base-Base interactions energy: -123.900 where: short stacking energy: -59.382 Base-Backbone interact. energy: -0.072 local terms energy: -70.307343 where: bonds (distance) C4'-P energy: -15.244 bonds (distance) P-C4' energy: -12.490 flat angles C4'-P-C4' energy: -13.968 flat angles P-C4'-P energy: -11.369 tors. eta vs tors. theta energy: -17.237 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: 9 ===================================== Write number: 478 Temperature: 1.050000 Total energy: -179.446594 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.446594 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.446594 (E_RNA) where: Base-Base interactions energy: -115.831 where: short stacking energy: -57.463 Base-Backbone interact. energy: -0.074 local terms energy: -63.541504 where: bonds (distance) C4'-P energy: -14.744 bonds (distance) P-C4' energy: -9.817 flat angles C4'-P-C4' energy: -15.161 flat angles P-C4'-P energy: -6.488 tors. eta vs tors. theta energy: -17.332 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 478 Temperature: 1.100000 Total energy: -194.244575 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.244575 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.244575 (E_RNA) where: Base-Base interactions energy: -131.832 where: short stacking energy: -62.267 Base-Backbone interact. energy: -0.237 local terms energy: -62.176219 where: bonds (distance) C4'-P energy: -10.616 bonds (distance) P-C4' energy: -14.615 flat angles C4'-P-C4' energy: -12.037 flat angles P-C4'-P energy: -6.556 tors. eta vs tors. theta energy: -18.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 478 Temperature: 1.150000 Total energy: -176.206851 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.206851 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.206851 (E_RNA) where: Base-Base interactions energy: -114.584 where: short stacking energy: -52.057 Base-Backbone interact. energy: -0.013 local terms energy: -61.610260 where: bonds (distance) C4'-P energy: -13.750 bonds (distance) P-C4' energy: -13.135 flat angles C4'-P-C4' energy: -11.202 flat angles P-C4'-P energy: -10.358 tors. eta vs tors. theta energy: -13.166 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 478 Temperature: 1.200000 Total energy: -174.548570 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.548570 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.548570 (E_RNA) where: Base-Base interactions energy: -109.609 where: short stacking energy: -48.399 Base-Backbone interact. energy: -0.000 local terms energy: -64.939188 where: bonds (distance) C4'-P energy: -11.920 bonds (distance) P-C4' energy: -14.511 flat angles C4'-P-C4' energy: -14.621 flat angles P-C4'-P energy: -10.553 tors. eta vs tors. theta energy: -13.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 478 Temperature: 1.250000 Total energy: -162.694198 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.694198 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.694198 (E_RNA) where: Base-Base interactions energy: -103.063 where: short stacking energy: -48.820 Base-Backbone interact. energy: -0.086 local terms energy: -59.544346 where: bonds (distance) C4'-P energy: -11.037 bonds (distance) P-C4' energy: -12.061 flat angles C4'-P-C4' energy: -12.353 flat angles P-C4'-P energy: -11.468 tors. eta vs tors. theta energy: -12.625 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 478 Temperature: 1.300000 Total energy: -66.513692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -66.513692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -66.513692 (E_RNA) where: Base-Base interactions energy: -27.337 where: short stacking energy: -17.696 Base-Backbone interact. energy: 0.372 local terms energy: -39.548635 where: bonds (distance) C4'-P energy: -10.118 bonds (distance) P-C4' energy: -11.173 flat angles C4'-P-C4' energy: -10.609 flat angles P-C4'-P energy: -6.246 tors. eta vs tors. theta energy: -1.402 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 478 Temperature: 1.350000 Total energy: -69.038889 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.038889 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.038889 (E_RNA) where: Base-Base interactions energy: -29.212 where: short stacking energy: -28.668 Base-Backbone interact. energy: -0.014 local terms energy: -39.813076 where: bonds (distance) C4'-P energy: -6.926 bonds (distance) P-C4' energy: -7.655 flat angles C4'-P-C4' energy: -14.929 flat angles P-C4'-P energy: -4.945 tors. eta vs tors. theta energy: -5.358 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 7 ===================================== Write number: 479 Temperature: 0.900000 Total energy: -219.099726 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -219.099726 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -219.099726 (E_RNA) where: Base-Base interactions energy: -142.274 where: short stacking energy: -71.736 Base-Backbone interact. energy: -0.004 local terms energy: -76.820933 where: bonds (distance) C4'-P energy: -14.843 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -15.189 flat angles P-C4'-P energy: -12.280 tors. eta vs tors. theta energy: -18.753 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 479 Temperature: 0.950000 Total energy: -201.361865 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.361865 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.361865 (E_RNA) where: Base-Base interactions energy: -131.724 where: short stacking energy: -58.386 Base-Backbone interact. energy: -0.046 local terms energy: -69.591890 where: bonds (distance) C4'-P energy: -9.208 bonds (distance) P-C4' energy: -14.264 flat angles C4'-P-C4' energy: -14.063 flat angles P-C4'-P energy: -11.307 tors. eta vs tors. theta energy: -20.750 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: 1 ===================================== Write number: 479 Temperature: 1.000000 Total energy: -194.727717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.727717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.727717 (E_RNA) where: Base-Base interactions energy: -127.443 where: short stacking energy: -58.676 Base-Backbone interact. energy: -0.348 local terms energy: -66.936976 where: bonds (distance) C4'-P energy: -11.344 bonds (distance) P-C4' energy: -14.878 flat angles C4'-P-C4' energy: -12.705 flat angles P-C4'-P energy: -10.440 tors. eta vs tors. theta energy: -17.570 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: 4, replica: 5 ===================================== Write number: 479 Temperature: 1.050000 Total energy: -194.831180 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.831180 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.831180 (E_RNA) where: Base-Base interactions energy: -126.612 where: short stacking energy: -55.082 Base-Backbone interact. energy: -0.002 local terms energy: -68.217455 where: bonds (distance) C4'-P energy: -12.143 bonds (distance) P-C4' energy: -13.727 flat angles C4'-P-C4' energy: -12.550 flat angles P-C4'-P energy: -11.041 tors. eta vs tors. theta energy: -18.756 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: 5, replica: 9 ===================================== Write number: 479 Temperature: 1.100000 Total energy: -190.345351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -190.345351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -190.345351 (E_RNA) where: Base-Base interactions energy: -126.715 where: short stacking energy: -61.976 Base-Backbone interact. energy: -0.083 local terms energy: -63.548033 where: bonds (distance) C4'-P energy: -12.904 bonds (distance) P-C4' energy: -14.973 flat angles C4'-P-C4' energy: -15.807 flat angles P-C4'-P energy: -7.817 tors. eta vs tors. theta energy: -12.047 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 479 Temperature: 1.150000 Total energy: -173.711183 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.711183 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.711183 (E_RNA) where: Base-Base interactions energy: -116.166 where: short stacking energy: -57.810 Base-Backbone interact. energy: -0.001 local terms energy: -57.544474 where: bonds (distance) C4'-P energy: -12.225 bonds (distance) P-C4' energy: -9.474 flat angles C4'-P-C4' energy: -12.463 flat angles P-C4'-P energy: -6.717 tors. eta vs tors. theta energy: -16.665 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 479 Temperature: 1.200000 Total energy: -180.621343 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.621343 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.621343 (E_RNA) where: Base-Base interactions energy: -116.627 where: short stacking energy: -56.279 Base-Backbone interact. energy: -0.043 local terms energy: -63.951668 where: bonds (distance) C4'-P energy: -14.408 bonds (distance) P-C4' energy: -12.216 flat angles C4'-P-C4' energy: -13.533 flat angles P-C4'-P energy: -10.381 tors. eta vs tors. theta energy: -13.414 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 3 ===================================== Write number: 479 Temperature: 1.250000 Total energy: -160.118643 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.118643 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.118643 (E_RNA) where: Base-Base interactions energy: -103.784 where: short stacking energy: -39.623 Base-Backbone interact. energy: -0.813 local terms energy: -55.521274 where: bonds (distance) C4'-P energy: -14.892 bonds (distance) P-C4' energy: -13.181 flat angles C4'-P-C4' energy: -15.328 flat angles P-C4'-P energy: -6.326 tors. eta vs tors. theta energy: -5.794 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 479 Temperature: 1.300000 Total energy: -70.246155 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.246155 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.246155 (E_RNA) where: Base-Base interactions energy: -26.169 where: short stacking energy: -20.107 Base-Backbone interact. energy: -0.132 local terms energy: -43.944995 where: bonds (distance) C4'-P energy: -10.714 bonds (distance) P-C4' energy: -11.518 flat angles C4'-P-C4' energy: -15.057 flat angles P-C4'-P energy: -6.476 tors. eta vs tors. theta energy: -0.180 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 479 Temperature: 1.350000 Total energy: -81.148564 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.148564 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.148564 (E_RNA) where: Base-Base interactions energy: -43.247 where: short stacking energy: -25.826 Base-Backbone interact. energy: -0.058 local terms energy: -37.843404 where: bonds (distance) C4'-P energy: -14.800 bonds (distance) P-C4' energy: -13.026 flat angles C4'-P-C4' energy: -7.572 flat angles P-C4'-P energy: -2.371 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: 7 ===================================== Write number: 480 Temperature: 0.900000 Total energy: -212.501811 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -212.501811 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -212.501811 (E_RNA) where: Base-Base interactions energy: -142.455 where: short stacking energy: -67.267 Base-Backbone interact. energy: 0.020 local terms energy: -70.067425 where: bonds (distance) C4'-P energy: -14.553 bonds (distance) P-C4' energy: -12.542 flat angles C4'-P-C4' energy: -13.370 flat angles P-C4'-P energy: -8.428 tors. eta vs tors. theta energy: -21.175 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: 2, replica: 4 ===================================== Write number: 480 Temperature: 0.950000 Total energy: -199.078233 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.078233 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.078233 (E_RNA) where: Base-Base interactions energy: -131.668 where: short stacking energy: -50.606 Base-Backbone interact. energy: -0.251 local terms energy: -67.158955 where: bonds (distance) C4'-P energy: -13.112 bonds (distance) P-C4' energy: -13.288 flat angles C4'-P-C4' energy: -15.911 flat angles P-C4'-P energy: -10.706 tors. eta vs tors. theta energy: -14.142 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 480 Temperature: 1.000000 Total energy: -209.238254 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.238254 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.238254 (E_RNA) where: Base-Base interactions energy: -142.001 where: short stacking energy: -68.951 Base-Backbone interact. energy: -0.002 local terms energy: -67.234759 where: bonds (distance) C4'-P energy: -8.806 bonds (distance) P-C4' energy: -14.445 flat angles C4'-P-C4' energy: -12.614 flat angles P-C4'-P energy: -12.117 tors. eta vs tors. theta energy: -19.253 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 480 Temperature: 1.050000 Total energy: -183.713063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.713063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.713063 (E_RNA) where: Base-Base interactions energy: -120.379 where: short stacking energy: -51.811 Base-Backbone interact. energy: -0.038 local terms energy: -63.295893 where: bonds (distance) C4'-P energy: -13.016 bonds (distance) P-C4' energy: -14.593 flat angles C4'-P-C4' energy: -10.315 flat angles P-C4'-P energy: -10.029 tors. eta vs tors. theta energy: -15.343 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: 480 Temperature: 1.100000 Total energy: -178.100860 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.100860 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.100860 (E_RNA) where: Base-Base interactions energy: -117.774 where: short stacking energy: -55.053 Base-Backbone interact. energy: 0.176 local terms energy: -60.502381 where: bonds (distance) C4'-P energy: -11.893 bonds (distance) P-C4' energy: -12.434 flat angles C4'-P-C4' energy: -12.830 flat angles P-C4'-P energy: -13.119 tors. eta vs tors. theta energy: -10.225 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 9 ===================================== Write number: 480 Temperature: 1.150000 Total energy: -176.279576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.279576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.279576 (E_RNA) where: Base-Base interactions energy: -109.932 where: short stacking energy: -53.176 Base-Backbone interact. energy: -0.001 local terms energy: -66.347088 where: bonds (distance) C4'-P energy: -12.445 bonds (distance) P-C4' energy: -12.702 flat angles C4'-P-C4' energy: -14.768 flat angles P-C4'-P energy: -9.298 tors. eta vs tors. theta energy: -17.134 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 480 Temperature: 1.200000 Total energy: -152.340834 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -152.340834 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -152.340834 (E_RNA) where: Base-Base interactions energy: -94.736 where: short stacking energy: -45.745 Base-Backbone interact. energy: -0.064 local terms energy: -57.540777 where: bonds (distance) C4'-P energy: -15.749 bonds (distance) P-C4' energy: -12.678 flat angles C4'-P-C4' energy: -9.328 flat angles P-C4'-P energy: -11.056 tors. eta vs tors. theta energy: -8.730 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: 480 Temperature: 1.250000 Total energy: -160.761360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -160.761360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -160.761360 (E_RNA) where: Base-Base interactions energy: -112.186 where: short stacking energy: -46.870 Base-Backbone interact. energy: 5.767 local terms energy: -54.342585 where: bonds (distance) C4'-P energy: -12.821 bonds (distance) P-C4' energy: -10.778 flat angles C4'-P-C4' energy: -11.283 flat angles P-C4'-P energy: -8.550 tors. eta vs tors. theta energy: -10.911 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 480 Temperature: 1.300000 Total energy: -84.476551 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -84.476551 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -84.476551 (E_RNA) where: Base-Base interactions energy: -35.722 where: short stacking energy: -23.138 Base-Backbone interact. energy: -0.321 local terms energy: -48.433925 where: bonds (distance) C4'-P energy: -10.028 bonds (distance) P-C4' energy: -10.243 flat angles C4'-P-C4' energy: -10.089 flat angles P-C4'-P energy: -11.927 tors. eta vs tors. theta energy: -6.147 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 480 Temperature: 1.350000 Total energy: -80.319919 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.319919 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.319919 (E_RNA) where: Base-Base interactions energy: -36.437 where: short stacking energy: -22.532 Base-Backbone interact. energy: -0.196 local terms energy: -43.686509 where: bonds (distance) C4'-P energy: -11.984 bonds (distance) P-C4' energy: -13.480 flat angles C4'-P-C4' energy: -7.872 flat angles P-C4'-P energy: -7.321 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: 1, replica: 7 ===================================== Write number: 481 Temperature: 0.900000 Total energy: -205.174861 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.174861 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.174861 (E_RNA) where: Base-Base interactions energy: -144.668 where: short stacking energy: -70.560 Base-Backbone interact. energy: -0.003 local terms energy: -60.503929 where: bonds (distance) C4'-P energy: -11.580 bonds (distance) P-C4' energy: -14.219 flat angles C4'-P-C4' energy: -11.957 flat angles P-C4'-P energy: -3.479 tors. eta vs tors. theta energy: -19.269 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: 481 Temperature: 0.950000 Total energy: -193.716971 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.716971 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.716971 (E_RNA) where: Base-Base interactions energy: -125.374 where: short stacking energy: -58.258 Base-Backbone interact. energy: -0.197 local terms energy: -68.146250 where: bonds (distance) C4'-P energy: -12.921 bonds (distance) P-C4' energy: -15.650 flat angles C4'-P-C4' energy: -13.063 flat angles P-C4'-P energy: -8.333 tors. eta vs tors. theta energy: -18.181 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: 5 ===================================== Write number: 481 Temperature: 1.000000 Total energy: -207.672434 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.672434 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.672434 (E_RNA) where: Base-Base interactions energy: -134.816 where: short stacking energy: -67.057 Base-Backbone interact. energy: -0.001 local terms energy: -72.855898 where: bonds (distance) C4'-P energy: -14.958 bonds (distance) P-C4' energy: -13.905 flat angles C4'-P-C4' energy: -16.397 flat angles P-C4'-P energy: -9.733 tors. eta vs tors. theta energy: -17.863 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 481 Temperature: 1.050000 Total energy: -197.542170 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.542170 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.542170 (E_RNA) where: Base-Base interactions energy: -132.053 where: short stacking energy: -56.958 Base-Backbone interact. energy: -0.017 local terms energy: -65.471890 where: bonds (distance) C4'-P energy: -14.390 bonds (distance) P-C4' energy: -14.199 flat angles C4'-P-C4' energy: -12.414 flat angles P-C4'-P energy: -5.088 tors. eta vs tors. theta energy: -19.380 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 481 Temperature: 1.100000 Total energy: -173.292413 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.292413 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.292413 (E_RNA) where: Base-Base interactions energy: -121.585 where: short stacking energy: -54.670 Base-Backbone interact. energy: 2.299 local terms energy: -54.006255 where: bonds (distance) C4'-P energy: -10.607 bonds (distance) P-C4' energy: -13.261 flat angles C4'-P-C4' energy: -10.149 flat angles P-C4'-P energy: -7.953 tors. eta vs tors. theta energy: -12.038 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 481 Temperature: 1.150000 Total energy: -169.957881 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.957881 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.957881 (E_RNA) where: Base-Base interactions energy: -109.660 where: short stacking energy: -55.255 Base-Backbone interact. energy: -0.908 local terms energy: -59.389354 where: bonds (distance) C4'-P energy: -9.767 bonds (distance) P-C4' energy: -13.099 flat angles C4'-P-C4' energy: -11.298 flat angles P-C4'-P energy: -8.251 tors. eta vs tors. theta energy: -16.974 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 481 Temperature: 1.200000 Total energy: -180.591247 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.591247 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.591247 (E_RNA) where: Base-Base interactions energy: -124.287 where: short stacking energy: -54.205 Base-Backbone interact. energy: -0.338 local terms energy: -55.966129 where: bonds (distance) C4'-P energy: -10.219 bonds (distance) P-C4' energy: -9.495 flat angles C4'-P-C4' energy: -10.217 flat angles P-C4'-P energy: -8.912 tors. eta vs tors. theta energy: -17.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 481 Temperature: 1.250000 Total energy: -177.747580 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.747580 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.747580 (E_RNA) where: Base-Base interactions energy: -117.327 where: short stacking energy: -52.850 Base-Backbone interact. energy: -0.320 local terms energy: -60.100854 where: bonds (distance) C4'-P energy: -12.856 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -8.451 flat angles P-C4'-P energy: -9.850 tors. eta vs tors. theta energy: -16.105 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 481 Temperature: 1.300000 Total energy: -78.306013 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.306013 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.306013 (E_RNA) where: Base-Base interactions energy: -37.962 where: short stacking energy: -36.198 Base-Backbone interact. energy: 1.688 local terms energy: -42.031937 where: bonds (distance) C4'-P energy: -10.119 bonds (distance) P-C4' energy: -11.466 flat angles C4'-P-C4' energy: -9.098 flat angles P-C4'-P energy: -2.287 tors. eta vs tors. theta energy: -9.063 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: 10 ===================================== Write number: 481 Temperature: 1.350000 Total energy: -75.457354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.457354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.457354 (E_RNA) where: Base-Base interactions energy: -26.161 where: short stacking energy: -26.161 Base-Backbone interact. energy: -0.247 local terms energy: -49.049682 where: bonds (distance) C4'-P energy: -12.984 bonds (distance) P-C4' energy: -15.107 flat angles C4'-P-C4' energy: -13.599 flat angles P-C4'-P energy: -7.236 tors. eta vs tors. theta energy: -0.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 482 Temperature: 0.900000 Total energy: -196.972517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.972517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.972517 (E_RNA) where: Base-Base interactions energy: -129.831 where: short stacking energy: -58.943 Base-Backbone interact. energy: -0.860 local terms energy: -66.281250 where: bonds (distance) C4'-P energy: -13.931 bonds (distance) P-C4' energy: -13.880 flat angles C4'-P-C4' energy: -14.480 flat angles P-C4'-P energy: -10.857 tors. eta vs tors. theta energy: -13.133 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: 7 ===================================== Write number: 482 Temperature: 0.950000 Total energy: -206.819065 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.819065 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.819065 (E_RNA) where: Base-Base interactions energy: -134.543 where: short stacking energy: -62.376 Base-Backbone interact. energy: -0.477 local terms energy: -71.798453 where: bonds (distance) C4'-P energy: -16.568 bonds (distance) P-C4' energy: -11.619 flat angles C4'-P-C4' energy: -15.850 flat angles P-C4'-P energy: -10.957 tors. eta vs tors. theta energy: -16.804 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: 3, replica: 5 ===================================== Write number: 482 Temperature: 1.000000 Total energy: -203.383524 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.383524 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.383524 (E_RNA) where: Base-Base interactions energy: -136.095 where: short stacking energy: -60.889 Base-Backbone interact. energy: -0.296 local terms energy: -66.992315 where: bonds (distance) C4'-P energy: -12.632 bonds (distance) P-C4' energy: -12.036 flat angles C4'-P-C4' energy: -15.176 flat angles P-C4'-P energy: -9.844 tors. eta vs tors. theta energy: -17.305 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: 6 ===================================== Write number: 482 Temperature: 1.050000 Total energy: -187.329427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.329427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.329427 (E_RNA) where: Base-Base interactions energy: -126.554 where: short stacking energy: -47.195 Base-Backbone interact. energy: -0.003 local terms energy: -60.772670 where: bonds (distance) C4'-P energy: -12.934 bonds (distance) P-C4' energy: -13.103 flat angles C4'-P-C4' energy: -11.974 flat angles P-C4'-P energy: -8.475 tors. eta vs tors. theta energy: -14.286 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: 1 ===================================== Write number: 482 Temperature: 1.100000 Total energy: -194.548461 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.548461 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.548461 (E_RNA) where: Base-Base interactions energy: -125.032 where: short stacking energy: -60.599 Base-Backbone interact. energy: 0.934 local terms energy: -70.450315 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -16.163 flat angles C4'-P-C4' energy: -14.059 flat angles P-C4'-P energy: -7.722 tors. eta vs tors. theta energy: -18.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 482 Temperature: 1.150000 Total energy: -180.594044 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.594044 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.594044 (E_RNA) where: Base-Base interactions energy: -122.313 where: short stacking energy: -53.276 Base-Backbone interact. energy: -0.215 local terms energy: -58.065540 where: bonds (distance) C4'-P energy: -13.576 bonds (distance) P-C4' energy: -12.624 flat angles C4'-P-C4' energy: -10.450 flat angles P-C4'-P energy: -9.105 tors. eta vs tors. theta energy: -12.311 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: 2 ===================================== Write number: 482 Temperature: 1.200000 Total energy: -172.027005 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.027005 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.027005 (E_RNA) where: Base-Base interactions energy: -112.456 where: short stacking energy: -52.214 Base-Backbone interact. energy: -0.004 local terms energy: -59.566630 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -13.909 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -6.822 tors. eta vs tors. theta energy: -13.884 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 482 Temperature: 1.250000 Total energy: -171.288348 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -171.288348 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -171.288348 (E_RNA) where: Base-Base interactions energy: -111.578 where: short stacking energy: -56.356 Base-Backbone interact. energy: -0.079 local terms energy: -59.631363 where: bonds (distance) C4'-P energy: -10.612 bonds (distance) P-C4' energy: -10.437 flat angles C4'-P-C4' energy: -13.413 flat angles P-C4'-P energy: -10.167 tors. eta vs tors. theta energy: -15.002 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: 10 ===================================== Write number: 482 Temperature: 1.300000 Total energy: -71.748331 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -71.748331 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -71.748331 (E_RNA) where: Base-Base interactions energy: -25.363 where: short stacking energy: -25.245 Base-Backbone interact. energy: -0.155 local terms energy: -46.230616 where: bonds (distance) C4'-P energy: -6.739 bonds (distance) P-C4' energy: -14.972 flat angles C4'-P-C4' energy: -13.541 flat angles P-C4'-P energy: -5.627 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: 10, replica: 8 ===================================== Write number: 482 Temperature: 1.350000 Total energy: -69.350665 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.350665 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.350665 (E_RNA) where: Base-Base interactions energy: -22.313 where: short stacking energy: -19.999 Base-Backbone interact. energy: 1.210 local terms energy: -48.247811 where: bonds (distance) C4'-P energy: -9.403 bonds (distance) P-C4' energy: -16.291 flat angles C4'-P-C4' energy: -11.219 flat angles P-C4'-P energy: -8.409 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: 1, replica: 4 ===================================== Write number: 483 Temperature: 0.900000 Total energy: -196.897360 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.897360 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.897360 (E_RNA) where: Base-Base interactions energy: -122.616 where: short stacking energy: -57.971 Base-Backbone interact. energy: -0.430 local terms energy: -73.851280 where: bonds (distance) C4'-P energy: -14.304 bonds (distance) P-C4' energy: -15.488 flat angles C4'-P-C4' energy: -17.169 flat angles P-C4'-P energy: -10.993 tors. eta vs tors. theta energy: -15.898 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 483 Temperature: 0.950000 Total energy: -211.484600 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.484600 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.484600 (E_RNA) where: Base-Base interactions energy: -143.823 where: short stacking energy: -64.032 Base-Backbone interact. energy: -0.001 local terms energy: -67.660458 where: bonds (distance) C4'-P energy: -10.896 bonds (distance) P-C4' energy: -12.802 flat angles C4'-P-C4' energy: -16.138 flat angles P-C4'-P energy: -9.345 tors. eta vs tors. theta energy: -18.479 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 483 Temperature: 1.000000 Total energy: -207.043675 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.043675 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.043675 (E_RNA) where: Base-Base interactions energy: -137.933 where: short stacking energy: -60.629 Base-Backbone interact. energy: 0.023 local terms energy: -69.133374 where: bonds (distance) C4'-P energy: -13.054 bonds (distance) P-C4' energy: -15.100 flat angles C4'-P-C4' energy: -13.677 flat angles P-C4'-P energy: -7.809 tors. eta vs tors. theta energy: -19.494 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 483 Temperature: 1.050000 Total energy: -202.429854 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.429854 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.429854 (E_RNA) where: Base-Base interactions energy: -134.541 where: short stacking energy: -61.865 Base-Backbone interact. energy: -0.019 local terms energy: -67.870037 where: bonds (distance) C4'-P energy: -12.411 bonds (distance) P-C4' energy: -14.682 flat angles C4'-P-C4' energy: -13.829 flat angles P-C4'-P energy: -9.887 tors. eta vs tors. theta energy: -17.061 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 483 Temperature: 1.100000 Total energy: -176.409510 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.409510 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.409510 (E_RNA) where: Base-Base interactions energy: -110.776 where: short stacking energy: -55.712 Base-Backbone interact. energy: 1.074 local terms energy: -66.707051 where: bonds (distance) C4'-P energy: -14.638 bonds (distance) P-C4' energy: -13.420 flat angles C4'-P-C4' energy: -15.350 flat angles P-C4'-P energy: -9.537 tors. eta vs tors. theta energy: -13.762 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 483 Temperature: 1.150000 Total energy: -173.729404 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.729404 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.729404 (E_RNA) where: Base-Base interactions energy: -113.748 where: short stacking energy: -52.947 Base-Backbone interact. energy: -0.083 local terms energy: -59.898417 where: bonds (distance) C4'-P energy: -11.928 bonds (distance) P-C4' energy: -12.648 flat angles C4'-P-C4' energy: -12.733 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -13.009 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 3 ===================================== Write number: 483 Temperature: 1.200000 Total energy: -170.845696 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -170.845696 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -170.845696 (E_RNA) where: Base-Base interactions energy: -116.798 where: short stacking energy: -51.619 Base-Backbone interact. energy: -0.351 local terms energy: -53.696204 where: bonds (distance) C4'-P energy: -6.739 bonds (distance) P-C4' energy: -11.673 flat angles C4'-P-C4' energy: -14.206 flat angles P-C4'-P energy: -10.352 tors. eta vs tors. theta energy: -10.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 483 Temperature: 1.250000 Total energy: -175.912318 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.912318 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.912318 (E_RNA) where: Base-Base interactions energy: -122.230 where: short stacking energy: -64.271 Base-Backbone interact. energy: -0.018 local terms energy: -53.664742 where: bonds (distance) C4'-P energy: -12.412 bonds (distance) P-C4' energy: -9.105 flat angles C4'-P-C4' energy: -8.268 flat angles P-C4'-P energy: -6.010 tors. eta vs tors. theta energy: -17.869 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 483 Temperature: 1.300000 Total energy: -81.510829 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.510829 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.510829 (E_RNA) where: Base-Base interactions energy: -26.869 where: short stacking energy: -26.869 Base-Backbone interact. energy: -0.844 local terms energy: -53.797129 where: bonds (distance) C4'-P energy: -13.107 bonds (distance) P-C4' energy: -15.727 flat angles C4'-P-C4' energy: -11.928 flat angles P-C4'-P energy: -6.413 tors. eta vs tors. theta energy: -6.622 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 483 Temperature: 1.350000 Total energy: -73.399134 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.399134 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.399134 (E_RNA) where: Base-Base interactions energy: -27.021 where: short stacking energy: -27.021 Base-Backbone interact. energy: 0.293 local terms energy: -46.671470 where: bonds (distance) C4'-P energy: -15.315 bonds (distance) P-C4' energy: -13.755 flat angles C4'-P-C4' energy: -9.203 flat angles P-C4'-P energy: -6.329 tors. eta vs tors. theta energy: -2.069 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 484 Temperature: 0.900000 Total energy: -207.238419 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.238419 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.238419 (E_RNA) where: Base-Base interactions energy: -133.928 where: short stacking energy: -63.439 Base-Backbone interact. energy: -0.004 local terms energy: -73.306773 where: bonds (distance) C4'-P energy: -14.221 bonds (distance) P-C4' energy: -15.617 flat angles C4'-P-C4' energy: -15.508 flat angles P-C4'-P energy: -12.104 tors. eta vs tors. theta energy: -15.856 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: 2, replica: 4 ===================================== Write number: 484 Temperature: 0.950000 Total energy: -197.833560 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.833560 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.833560 (E_RNA) where: Base-Base interactions energy: -128.353 where: short stacking energy: -63.630 Base-Backbone interact. energy: -0.025 local terms energy: -69.455594 where: bonds (distance) C4'-P energy: -13.761 bonds (distance) P-C4' energy: -12.517 flat angles C4'-P-C4' energy: -15.688 flat angles P-C4'-P energy: -12.141 tors. eta vs tors. theta energy: -15.349 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: 7 ===================================== Write number: 484 Temperature: 1.000000 Total energy: -215.540970 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.540970 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.540970 (E_RNA) where: Base-Base interactions energy: -136.110 where: short stacking energy: -64.400 Base-Backbone interact. energy: -0.122 local terms energy: -79.308517 where: bonds (distance) C4'-P energy: -15.580 bonds (distance) P-C4' energy: -16.539 flat angles C4'-P-C4' energy: -15.129 flat angles P-C4'-P energy: -12.866 tors. eta vs tors. theta energy: -19.195 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: 6 ===================================== Write number: 484 Temperature: 1.050000 Total energy: -185.190100 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.190100 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.190100 (E_RNA) where: Base-Base interactions energy: -117.315 where: short stacking energy: -52.369 Base-Backbone interact. energy: -0.445 local terms energy: -67.430531 where: bonds (distance) C4'-P energy: -14.265 bonds (distance) P-C4' energy: -12.725 flat angles C4'-P-C4' energy: -16.014 flat angles P-C4'-P energy: -9.242 tors. eta vs tors. theta energy: -15.185 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: 1 ===================================== Write number: 484 Temperature: 1.100000 Total energy: -194.347392 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.347392 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.347392 (E_RNA) where: Base-Base interactions energy: -133.878 where: short stacking energy: -59.113 Base-Backbone interact. energy: 1.771 local terms energy: -62.240643 where: bonds (distance) C4'-P energy: -10.474 bonds (distance) P-C4' energy: -11.182 flat angles C4'-P-C4' energy: -15.835 flat angles P-C4'-P energy: -10.772 tors. eta vs tors. theta energy: -13.978 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 484 Temperature: 1.150000 Total energy: -177.834609 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.834609 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.834609 (E_RNA) where: Base-Base interactions energy: -118.347 where: short stacking energy: -52.800 Base-Backbone interact. energy: -0.251 local terms energy: -59.236449 where: bonds (distance) C4'-P energy: -12.101 bonds (distance) P-C4' energy: -11.403 flat angles C4'-P-C4' energy: -12.426 flat angles P-C4'-P energy: -9.197 tors. eta vs tors. theta energy: -14.110 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: 3 ===================================== Write number: 484 Temperature: 1.200000 Total energy: -169.615542 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.615542 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.615542 (E_RNA) where: Base-Base interactions energy: -111.877 where: short stacking energy: -46.257 Base-Backbone interact. energy: 0.204 local terms energy: -57.943039 where: bonds (distance) C4'-P energy: -14.338 bonds (distance) P-C4' energy: -12.080 flat angles C4'-P-C4' energy: -11.135 flat angles P-C4'-P energy: -7.822 tors. eta vs tors. theta energy: -12.569 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 484 Temperature: 1.250000 Total energy: -174.505862 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.505862 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.505862 (E_RNA) where: Base-Base interactions energy: -114.438 where: short stacking energy: -54.371 Base-Backbone interact. energy: -0.001 local terms energy: -60.067637 where: bonds (distance) C4'-P energy: -14.329 bonds (distance) P-C4' energy: -11.147 flat angles C4'-P-C4' energy: -12.717 flat angles P-C4'-P energy: -6.430 tors. eta vs tors. theta energy: -15.445 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 484 Temperature: 1.300000 Total energy: -77.102398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.102398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.102398 (E_RNA) where: Base-Base interactions energy: -31.196 where: short stacking energy: -31.196 Base-Backbone interact. energy: 1.365 local terms energy: -47.271721 where: bonds (distance) C4'-P energy: -13.928 bonds (distance) P-C4' energy: -13.008 flat angles C4'-P-C4' energy: -11.220 flat angles P-C4'-P energy: -3.738 tors. eta vs tors. theta energy: -5.378 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 484 Temperature: 1.350000 Total energy: -75.578969 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.578969 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.578969 (E_RNA) where: Base-Base interactions energy: -23.142 where: short stacking energy: -18.327 Base-Backbone interact. energy: -0.098 local terms energy: -52.339479 where: bonds (distance) C4'-P energy: -12.019 bonds (distance) P-C4' energy: -12.691 flat angles C4'-P-C4' energy: -15.159 flat angles P-C4'-P energy: -6.656 tors. eta vs tors. theta energy: -5.816 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 485 Temperature: 0.900000 Total energy: -209.252516 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.252516 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.252516 (E_RNA) where: Base-Base interactions energy: -143.521 where: short stacking energy: -66.137 Base-Backbone interact. energy: -0.029 local terms energy: -65.702697 where: bonds (distance) C4'-P energy: -14.106 bonds (distance) P-C4' energy: -10.833 flat angles C4'-P-C4' energy: -14.571 flat angles P-C4'-P energy: -7.590 tors. eta vs tors. theta energy: -18.602 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 485 Temperature: 0.950000 Total energy: -199.029660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.029660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.029660 (E_RNA) where: Base-Base interactions energy: -130.017 where: short stacking energy: -61.603 Base-Backbone interact. energy: -0.499 local terms energy: -68.514380 where: bonds (distance) C4'-P energy: -13.547 bonds (distance) P-C4' energy: -13.997 flat angles C4'-P-C4' energy: -16.044 flat angles P-C4'-P energy: -8.104 tors. eta vs tors. theta energy: -16.822 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 485 Temperature: 1.000000 Total energy: -195.044043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.044043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.044043 (E_RNA) where: Base-Base interactions energy: -124.916 where: short stacking energy: -57.592 Base-Backbone interact. energy: -0.251 local terms energy: -69.877653 where: bonds (distance) C4'-P energy: -14.553 bonds (distance) P-C4' energy: -16.111 flat angles C4'-P-C4' energy: -12.263 flat angles P-C4'-P energy: -11.828 tors. eta vs tors. theta energy: -15.123 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 485 Temperature: 1.050000 Total energy: -182.912447 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.912447 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.912447 (E_RNA) where: Base-Base interactions energy: -125.429 where: short stacking energy: -55.007 Base-Backbone interact. energy: 1.717 local terms energy: -59.200548 where: bonds (distance) C4'-P energy: -15.137 bonds (distance) P-C4' energy: -13.740 flat angles C4'-P-C4' energy: -10.732 flat angles P-C4'-P energy: -8.556 tors. eta vs tors. theta energy: -11.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 485 Temperature: 1.100000 Total energy: -188.423784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.423784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.423784 (E_RNA) where: Base-Base interactions energy: -119.367 where: short stacking energy: -60.723 Base-Backbone interact. energy: 0.617 local terms energy: -69.673508 where: bonds (distance) C4'-P energy: -12.118 bonds (distance) P-C4' energy: -16.933 flat angles C4'-P-C4' energy: -13.546 flat angles P-C4'-P energy: -10.931 tors. eta vs tors. theta energy: -16.145 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 485 Temperature: 1.150000 Total energy: -181.711552 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.711552 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.711552 (E_RNA) where: Base-Base interactions energy: -122.186 where: short stacking energy: -52.498 Base-Backbone interact. energy: -0.767 local terms energy: -58.758219 where: bonds (distance) C4'-P energy: -10.110 bonds (distance) P-C4' energy: -12.839 flat angles C4'-P-C4' energy: -10.972 flat angles P-C4'-P energy: -11.609 tors. eta vs tors. theta energy: -13.227 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 485 Temperature: 1.200000 Total energy: -180.219879 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.219879 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.219879 (E_RNA) where: Base-Base interactions energy: -114.651 where: short stacking energy: -49.907 Base-Backbone interact. energy: -0.196 local terms energy: -65.372369 where: bonds (distance) C4'-P energy: -12.838 bonds (distance) P-C4' energy: -15.055 flat angles C4'-P-C4' energy: -15.162 flat angles P-C4'-P energy: -10.499 tors. eta vs tors. theta energy: -11.819 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 485 Temperature: 1.250000 Total energy: -174.068746 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -174.068746 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -174.068746 (E_RNA) where: Base-Base interactions energy: -116.749 where: short stacking energy: -44.725 Base-Backbone interact. energy: -0.011 local terms energy: -57.308705 where: bonds (distance) C4'-P energy: -12.003 bonds (distance) P-C4' energy: -12.356 flat angles C4'-P-C4' energy: -9.911 flat angles P-C4'-P energy: -9.071 tors. eta vs tors. theta energy: -13.968 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 485 Temperature: 1.300000 Total energy: -82.104309 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.104309 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.104309 (E_RNA) where: Base-Base interactions energy: -31.839 where: short stacking energy: -31.839 Base-Backbone interact. energy: 0.585 local terms energy: -50.850070 where: bonds (distance) C4'-P energy: -11.596 bonds (distance) P-C4' energy: -10.610 flat angles C4'-P-C4' energy: -12.054 flat angles P-C4'-P energy: -8.154 tors. eta vs tors. theta energy: -8.437 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 485 Temperature: 1.350000 Total energy: -75.168639 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.168639 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.168639 (E_RNA) where: Base-Base interactions energy: -38.877 where: short stacking energy: -22.787 Base-Backbone interact. energy: -0.163 local terms energy: -36.128695 where: bonds (distance) C4'-P energy: -7.932 bonds (distance) P-C4' energy: -17.613 flat angles C4'-P-C4' energy: -9.745 flat angles P-C4'-P energy: -2.860 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: 1, replica: 7 ===================================== Write number: 486 Temperature: 0.900000 Total energy: -215.268514 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.268514 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.268514 (E_RNA) where: Base-Base interactions energy: -141.951 where: short stacking energy: -63.161 Base-Backbone interact. energy: -0.001 local terms energy: -73.316237 where: bonds (distance) C4'-P energy: -13.641 bonds (distance) P-C4' energy: -12.649 flat angles C4'-P-C4' energy: -15.487 flat angles P-C4'-P energy: -10.272 tors. eta vs tors. theta energy: -21.267 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 486 Temperature: 0.950000 Total energy: -208.903424 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.903424 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.903424 (E_RNA) where: Base-Base interactions energy: -138.278 where: short stacking energy: -58.838 Base-Backbone interact. energy: -0.001 local terms energy: -70.624007 where: bonds (distance) C4'-P energy: -15.687 bonds (distance) P-C4' energy: -14.263 flat angles C4'-P-C4' energy: -13.742 flat angles P-C4'-P energy: -10.007 tors. eta vs tors. theta energy: -16.925 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 486 Temperature: 1.000000 Total energy: -193.120718 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.120718 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.120718 (E_RNA) where: Base-Base interactions energy: -129.781 where: short stacking energy: -59.138 Base-Backbone interact. energy: -0.217 local terms energy: -63.123322 where: bonds (distance) C4'-P energy: -9.663 bonds (distance) P-C4' energy: -12.778 flat angles C4'-P-C4' energy: -15.404 flat angles P-C4'-P energy: -11.599 tors. eta vs tors. theta energy: -13.679 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 486 Temperature: 1.050000 Total energy: -184.380159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.380159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.380159 (E_RNA) where: Base-Base interactions energy: -117.600 where: short stacking energy: -45.120 Base-Backbone interact. energy: 1.915 local terms energy: -68.694464 where: bonds (distance) C4'-P energy: -14.602 bonds (distance) P-C4' energy: -16.662 flat angles C4'-P-C4' energy: -12.437 flat angles P-C4'-P energy: -10.941 tors. eta vs tors. theta energy: -14.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 486 Temperature: 1.100000 Total energy: -188.510872 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.510872 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.510872 (E_RNA) where: Base-Base interactions energy: -125.551 where: short stacking energy: -51.220 Base-Backbone interact. energy: -1.188 local terms energy: -61.771585 where: bonds (distance) C4'-P energy: -13.041 bonds (distance) P-C4' energy: -12.634 flat angles C4'-P-C4' energy: -14.301 flat angles P-C4'-P energy: -9.623 tors. eta vs tors. theta energy: -12.173 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: 3 ===================================== Write number: 486 Temperature: 1.150000 Total energy: -180.501880 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -180.501880 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -180.501880 (E_RNA) where: Base-Base interactions energy: -121.653 where: short stacking energy: -49.790 Base-Backbone interact. energy: -0.115 local terms energy: -58.734037 where: bonds (distance) C4'-P energy: -12.093 bonds (distance) P-C4' energy: -11.754 flat angles C4'-P-C4' energy: -15.936 flat angles P-C4'-P energy: -8.059 tors. eta vs tors. theta energy: -10.892 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 486 Temperature: 1.200000 Total energy: -178.265398 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.265398 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.265398 (E_RNA) where: Base-Base interactions energy: -119.943 where: short stacking energy: -47.707 Base-Backbone interact. energy: -0.007 local terms energy: -58.316130 where: bonds (distance) C4'-P energy: -10.090 bonds (distance) P-C4' energy: -13.949 flat angles C4'-P-C4' energy: -9.790 flat angles P-C4'-P energy: -10.154 tors. eta vs tors. theta energy: -14.334 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 486 Temperature: 1.250000 Total energy: -162.134662 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.134662 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.134662 (E_RNA) where: Base-Base interactions energy: -109.555 where: short stacking energy: -53.594 Base-Backbone interact. energy: -0.116 local terms energy: -52.464336 where: bonds (distance) C4'-P energy: -10.847 bonds (distance) P-C4' energy: -8.278 flat angles C4'-P-C4' energy: -12.708 flat angles P-C4'-P energy: -9.435 tors. eta vs tors. theta energy: -11.196 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: 8 ===================================== Write number: 486 Temperature: 1.300000 Total energy: -72.231499 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.231499 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.231499 (E_RNA) where: Base-Base interactions energy: -29.068 where: short stacking energy: -28.755 Base-Backbone interact. energy: 0.089 local terms energy: -43.252504 where: bonds (distance) C4'-P energy: -12.250 bonds (distance) P-C4' energy: -11.326 flat angles C4'-P-C4' energy: -12.889 flat angles P-C4'-P energy: -5.152 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: 10, replica: 10 ===================================== Write number: 486 Temperature: 1.350000 Total energy: -82.725006 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.725006 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.725006 (E_RNA) where: Base-Base interactions energy: -38.091 where: short stacking energy: -18.248 Base-Backbone interact. energy: -0.182 local terms energy: -44.452027 where: bonds (distance) C4'-P energy: -13.956 bonds (distance) P-C4' energy: -5.031 flat angles C4'-P-C4' energy: -10.052 flat angles P-C4'-P energy: -13.854 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: 7 ===================================== Write number: 487 Temperature: 0.900000 Total energy: -214.541750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.541750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.541750 (E_RNA) where: Base-Base interactions energy: -140.559 where: short stacking energy: -60.972 Base-Backbone interact. energy: -0.003 local terms energy: -73.980100 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -14.666 flat angles C4'-P-C4' energy: -11.970 flat angles P-C4'-P energy: -12.427 tors. eta vs tors. theta energy: -20.889 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 487 Temperature: 0.950000 Total energy: -208.996421 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -208.996421 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -208.996421 (E_RNA) where: Base-Base interactions energy: -140.366 where: short stacking energy: -60.192 Base-Backbone interact. energy: -0.001 local terms energy: -68.629666 where: bonds (distance) C4'-P energy: -11.161 bonds (distance) P-C4' energy: -16.653 flat angles C4'-P-C4' energy: -13.297 flat angles P-C4'-P energy: -9.735 tors. eta vs tors. theta energy: -17.783 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 487 Temperature: 1.000000 Total energy: -192.271576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.271576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.271576 (E_RNA) where: Base-Base interactions energy: -126.361 where: short stacking energy: -58.058 Base-Backbone interact. energy: 0.389 local terms energy: -66.298723 where: bonds (distance) C4'-P energy: -13.833 bonds (distance) P-C4' energy: -11.224 flat angles C4'-P-C4' energy: -15.194 flat angles P-C4'-P energy: -10.311 tors. eta vs tors. theta energy: -15.736 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 1 ===================================== Write number: 487 Temperature: 1.050000 Total energy: -192.768615 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.768615 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.768615 (E_RNA) where: Base-Base interactions energy: -121.218 where: short stacking energy: -53.931 Base-Backbone interact. energy: -0.673 local terms energy: -70.878233 where: bonds (distance) C4'-P energy: -16.200 bonds (distance) P-C4' energy: -16.929 flat angles C4'-P-C4' energy: -14.547 flat angles P-C4'-P energy: -9.506 tors. eta vs tors. theta energy: -13.697 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 487 Temperature: 1.100000 Total energy: -184.840771 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.840771 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.840771 (E_RNA) where: Base-Base interactions energy: -113.142 where: short stacking energy: -54.955 Base-Backbone interact. energy: -0.254 local terms energy: -71.444998 where: bonds (distance) C4'-P energy: -16.108 bonds (distance) P-C4' energy: -16.386 flat angles C4'-P-C4' energy: -13.679 flat angles P-C4'-P energy: -7.763 tors. eta vs tors. theta energy: -17.510 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 3 ===================================== Write number: 487 Temperature: 1.150000 Total energy: -199.738653 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.738653 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.738653 (E_RNA) where: Base-Base interactions energy: -132.048 where: short stacking energy: -51.872 Base-Backbone interact. energy: -0.037 local terms energy: -67.653607 where: bonds (distance) C4'-P energy: -13.057 bonds (distance) P-C4' energy: -14.638 flat angles C4'-P-C4' energy: -13.678 flat angles P-C4'-P energy: -10.014 tors. eta vs tors. theta energy: -16.267 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: 7, replica: 9 ===================================== Write number: 487 Temperature: 1.200000 Total energy: -173.731842 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.731842 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.731842 (E_RNA) where: Base-Base interactions energy: -124.690 where: short stacking energy: -59.501 Base-Backbone interact. energy: -0.084 local terms energy: -48.957671 where: bonds (distance) C4'-P energy: -7.264 bonds (distance) P-C4' energy: -11.839 flat angles C4'-P-C4' energy: -9.538 flat angles P-C4'-P energy: -7.104 tors. eta vs tors. theta energy: -13.212 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 487 Temperature: 1.250000 Total energy: -161.399772 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.399772 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.399772 (E_RNA) where: Base-Base interactions energy: -109.273 where: short stacking energy: -52.845 Base-Backbone interact. energy: -0.048 local terms energy: -52.078209 where: bonds (distance) C4'-P energy: -11.088 bonds (distance) P-C4' energy: -13.494 flat angles C4'-P-C4' energy: -11.088 flat angles P-C4'-P energy: -6.967 tors. eta vs tors. theta energy: -9.441 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 487 Temperature: 1.300000 Total energy: -70.556742 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.556742 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.556742 (E_RNA) where: Base-Base interactions energy: -24.014 where: short stacking energy: -15.156 Base-Backbone interact. energy: -0.214 local terms energy: -46.328673 where: bonds (distance) C4'-P energy: -10.773 bonds (distance) P-C4' energy: -15.171 flat angles C4'-P-C4' energy: -9.441 flat angles P-C4'-P energy: -9.264 tors. eta vs tors. theta energy: -1.680 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 487 Temperature: 1.350000 Total energy: -82.037299 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -82.037299 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -82.037299 (E_RNA) where: Base-Base interactions energy: -38.708 where: short stacking energy: -23.537 Base-Backbone interact. energy: -0.170 local terms energy: -43.159171 where: bonds (distance) C4'-P energy: -13.868 bonds (distance) P-C4' energy: -11.057 flat angles C4'-P-C4' energy: -13.124 flat angles P-C4'-P energy: -4.617 tors. eta vs tors. theta energy: -0.494 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: 1, replica: 5 ===================================== Write number: 488 Temperature: 0.900000 Total energy: -199.698136 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.698136 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.698136 (E_RNA) where: Base-Base interactions energy: -137.756 where: short stacking energy: -63.992 Base-Backbone interact. energy: -0.080 local terms energy: -61.862007 where: bonds (distance) C4'-P energy: -11.746 bonds (distance) P-C4' energy: -14.550 flat angles C4'-P-C4' energy: -13.901 flat angles P-C4'-P energy: -8.933 tors. eta vs tors. theta energy: -12.731 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 488 Temperature: 0.950000 Total energy: -202.976487 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.976487 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.976487 (E_RNA) where: Base-Base interactions energy: -140.087 where: short stacking energy: -63.668 Base-Backbone interact. energy: -0.383 local terms energy: -62.505872 where: bonds (distance) C4'-P energy: -12.469 bonds (distance) P-C4' energy: -13.322 flat angles C4'-P-C4' energy: -13.286 flat angles P-C4'-P energy: -9.748 tors. eta vs tors. theta energy: -13.680 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: 488 Temperature: 1.000000 Total energy: -192.180587 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -192.180587 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -192.180587 (E_RNA) where: Base-Base interactions energy: -130.504 where: short stacking energy: -57.271 Base-Backbone interact. energy: -0.407 local terms energy: -61.269784 where: bonds (distance) C4'-P energy: -11.990 bonds (distance) P-C4' energy: -12.862 flat angles C4'-P-C4' energy: -12.521 flat angles P-C4'-P energy: -8.769 tors. eta vs tors. theta energy: -15.127 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: 1 ===================================== Write number: 488 Temperature: 1.050000 Total energy: -193.027414 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -193.027414 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -193.027414 (E_RNA) where: Base-Base interactions energy: -124.620 where: short stacking energy: -59.326 Base-Backbone interact. energy: -0.019 local terms energy: -68.388838 where: bonds (distance) C4'-P energy: -12.267 bonds (distance) P-C4' energy: -11.508 flat angles C4'-P-C4' energy: -14.400 flat angles P-C4'-P energy: -13.384 tors. eta vs tors. theta energy: -16.830 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: 5, replica: 3 ===================================== Write number: 488 Temperature: 1.100000 Total energy: -188.819290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.819290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.819290 (E_RNA) where: Base-Base interactions energy: -127.582 where: short stacking energy: -56.728 Base-Backbone interact. energy: 0.841 local terms energy: -62.077685 where: bonds (distance) C4'-P energy: -11.418 bonds (distance) P-C4' energy: -16.679 flat angles C4'-P-C4' energy: -8.752 flat angles P-C4'-P energy: -9.470 tors. eta vs tors. theta energy: -15.759 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 488 Temperature: 1.150000 Total energy: -177.272221 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.272221 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.272221 (E_RNA) where: Base-Base interactions energy: -118.574 where: short stacking energy: -55.101 Base-Backbone interact. energy: -0.130 local terms energy: -58.568199 where: bonds (distance) C4'-P energy: -9.734 bonds (distance) P-C4' energy: -8.263 flat angles C4'-P-C4' energy: -13.222 flat angles P-C4'-P energy: -9.820 tors. eta vs tors. theta energy: -17.529 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 488 Temperature: 1.200000 Total energy: -172.995063 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -172.995063 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -172.995063 (E_RNA) where: Base-Base interactions energy: -113.318 where: short stacking energy: -44.881 Base-Backbone interact. energy: -0.257 local terms energy: -59.419693 where: bonds (distance) C4'-P energy: -11.999 bonds (distance) P-C4' energy: -11.285 flat angles C4'-P-C4' energy: -14.181 flat angles P-C4'-P energy: -13.161 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: 8, replica: 9 ===================================== Write number: 488 Temperature: 1.250000 Total energy: -183.984619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.984619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.984619 (E_RNA) where: Base-Base interactions energy: -124.469 where: short stacking energy: -56.117 Base-Backbone interact. energy: -0.004 local terms energy: -59.512365 where: bonds (distance) C4'-P energy: -11.883 bonds (distance) P-C4' energy: -14.181 flat angles C4'-P-C4' energy: -13.369 flat angles P-C4'-P energy: -5.346 tors. eta vs tors. theta energy: -14.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 488 Temperature: 1.300000 Total energy: -91.716289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -91.716289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -91.716289 (E_RNA) where: Base-Base interactions energy: -33.685 where: short stacking energy: -33.685 Base-Backbone interact. energy: -0.186 local terms energy: -57.845324 where: bonds (distance) C4'-P energy: -16.192 bonds (distance) P-C4' energy: -13.537 flat angles C4'-P-C4' energy: -13.769 flat angles P-C4'-P energy: -3.226 tors. eta vs tors. theta energy: -11.123 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: 8 ===================================== Write number: 488 Temperature: 1.350000 Total energy: -77.136157 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.136157 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.136157 (E_RNA) where: Base-Base interactions energy: -29.830 where: short stacking energy: -29.830 Base-Backbone interact. energy: -0.157 local terms energy: -47.148926 where: bonds (distance) C4'-P energy: -10.035 bonds (distance) P-C4' energy: -13.395 flat angles C4'-P-C4' energy: -13.073 flat angles P-C4'-P energy: -5.896 tors. eta vs tors. theta energy: -4.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 489 Temperature: 0.900000 Total energy: -195.773753 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.773753 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.773753 (E_RNA) where: Base-Base interactions energy: -125.515 where: short stacking energy: -56.758 Base-Backbone interact. energy: -0.067 local terms energy: -70.192171 where: bonds (distance) C4'-P energy: -14.057 bonds (distance) P-C4' energy: -16.103 flat angles C4'-P-C4' energy: -16.706 flat angles P-C4'-P energy: -10.064 tors. eta vs tors. theta energy: -13.262 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: 2, replica: 4 ===================================== Write number: 489 Temperature: 0.950000 Total energy: -207.022990 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.022990 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.022990 (E_RNA) where: Base-Base interactions energy: -137.464 where: short stacking energy: -62.146 Base-Backbone interact. energy: -0.005 local terms energy: -69.554744 where: bonds (distance) C4'-P energy: -9.865 bonds (distance) P-C4' energy: -14.578 flat angles C4'-P-C4' energy: -14.683 flat angles P-C4'-P energy: -12.305 tors. eta vs tors. theta energy: -18.124 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 489 Temperature: 1.000000 Total energy: -189.742059 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.742059 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.742059 (E_RNA) where: Base-Base interactions energy: -127.447 where: short stacking energy: -50.808 Base-Backbone interact. energy: -0.188 local terms energy: -62.107509 where: bonds (distance) C4'-P energy: -12.449 bonds (distance) P-C4' energy: -11.820 flat angles C4'-P-C4' energy: -13.175 flat angles P-C4'-P energy: -10.657 tors. eta vs tors. theta energy: -14.007 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 3 ===================================== Write number: 489 Temperature: 1.050000 Total energy: -194.365614 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.365614 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.365614 (E_RNA) where: Base-Base interactions energy: -130.994 where: short stacking energy: -62.664 Base-Backbone interact. energy: -0.359 local terms energy: -63.012601 where: bonds (distance) C4'-P energy: -13.364 bonds (distance) P-C4' energy: -12.324 flat angles C4'-P-C4' energy: -13.716 flat angles P-C4'-P energy: -8.249 tors. eta vs tors. theta energy: -15.359 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 1 ===================================== Write number: 489 Temperature: 1.100000 Total energy: -184.782999 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.782999 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.782999 (E_RNA) where: Base-Base interactions energy: -117.012 where: short stacking energy: -54.252 Base-Backbone interact. energy: -0.070 local terms energy: -67.700788 where: bonds (distance) C4'-P energy: -10.823 bonds (distance) P-C4' energy: -15.978 flat angles C4'-P-C4' energy: -14.067 flat angles P-C4'-P energy: -11.398 tors. eta vs tors. theta energy: -15.434 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 489 Temperature: 1.150000 Total energy: -188.930576 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.930576 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.930576 (E_RNA) where: Base-Base interactions energy: -126.000 where: short stacking energy: -62.749 Base-Backbone interact. energy: -0.004 local terms energy: -62.927037 where: bonds (distance) C4'-P energy: -14.941 bonds (distance) P-C4' energy: -11.869 flat angles C4'-P-C4' energy: -15.670 flat angles P-C4'-P energy: -5.241 tors. eta vs tors. theta energy: -15.205 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 489 Temperature: 1.200000 Total energy: -149.618427 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -149.618427 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -149.618427 (E_RNA) where: Base-Base interactions energy: -89.700 where: short stacking energy: -40.566 Base-Backbone interact. energy: -0.115 local terms energy: -59.803259 where: bonds (distance) C4'-P energy: -13.476 bonds (distance) P-C4' energy: -15.524 flat angles C4'-P-C4' energy: -9.515 flat angles P-C4'-P energy: -10.943 tors. eta vs tors. theta energy: -10.346 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 9 ===================================== Write number: 489 Temperature: 1.250000 Total energy: -175.746546 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.746546 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.746546 (E_RNA) where: Base-Base interactions energy: -115.433 where: short stacking energy: -56.710 Base-Backbone interact. energy: -0.035 local terms energy: -60.278419 where: bonds (distance) C4'-P energy: -12.089 bonds (distance) P-C4' energy: -12.578 flat angles C4'-P-C4' energy: -12.061 flat angles P-C4'-P energy: -10.509 tors. eta vs tors. theta energy: -13.043 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 489 Temperature: 1.300000 Total energy: -86.686535 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -86.686535 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -86.686535 (E_RNA) where: Base-Base interactions energy: -41.714 where: short stacking energy: -27.736 Base-Backbone interact. energy: 0.902 local terms energy: -45.874760 where: bonds (distance) C4'-P energy: -12.433 bonds (distance) P-C4' energy: -16.879 flat angles C4'-P-C4' energy: -9.802 flat angles P-C4'-P energy: -5.586 tors. eta vs tors. theta energy: -1.174 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 489 Temperature: 1.350000 Total energy: -69.751637 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.751637 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.751637 (E_RNA) where: Base-Base interactions energy: -28.351 where: short stacking energy: -26.716 Base-Backbone interact. energy: -0.552 local terms energy: -40.848934 where: bonds (distance) C4'-P energy: -8.056 bonds (distance) P-C4' energy: -12.142 flat angles C4'-P-C4' energy: -10.157 flat angles P-C4'-P energy: -8.012 tors. eta vs tors. theta energy: -2.481 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: 490 Temperature: 0.900000 Total energy: -209.241415 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.241415 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.241415 (E_RNA) where: Base-Base interactions energy: -136.341 where: short stacking energy: -64.009 Base-Backbone interact. energy: -0.140 local terms energy: -72.760199 where: bonds (distance) C4'-P energy: -16.167 bonds (distance) P-C4' energy: -13.768 flat angles C4'-P-C4' energy: -15.467 flat angles P-C4'-P energy: -9.993 tors. eta vs tors. theta energy: -17.365 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 490 Temperature: 0.950000 Total energy: -207.489125 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.489125 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.489125 (E_RNA) where: Base-Base interactions energy: -140.735 where: short stacking energy: -65.716 Base-Backbone interact. energy: -0.001 local terms energy: -66.752940 where: bonds (distance) C4'-P energy: -11.209 bonds (distance) P-C4' energy: -13.148 flat angles C4'-P-C4' energy: -13.877 flat angles P-C4'-P energy: -11.602 tors. eta vs tors. theta energy: -16.917 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: 3 ===================================== Write number: 490 Temperature: 1.000000 Total energy: -199.634717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.634717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.634717 (E_RNA) where: Base-Base interactions energy: -137.030 where: short stacking energy: -57.452 Base-Backbone interact. energy: 1.103 local terms energy: -63.707452 where: bonds (distance) C4'-P energy: -11.128 bonds (distance) P-C4' energy: -11.588 flat angles C4'-P-C4' energy: -11.812 flat angles P-C4'-P energy: -11.799 tors. eta vs tors. theta energy: -17.380 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: 7 ===================================== Write number: 490 Temperature: 1.050000 Total energy: -201.266471 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.266471 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.266471 (E_RNA) where: Base-Base interactions energy: -137.209 where: short stacking energy: -64.214 Base-Backbone interact. energy: -0.035 local terms energy: -64.022910 where: bonds (distance) C4'-P energy: -15.368 bonds (distance) P-C4' energy: -10.566 flat angles C4'-P-C4' energy: -13.708 flat angles P-C4'-P energy: -7.567 tors. eta vs tors. theta energy: -16.814 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 490 Temperature: 1.100000 Total energy: -189.016717 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.016717 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.016717 (E_RNA) where: Base-Base interactions energy: -124.982 where: short stacking energy: -54.052 Base-Backbone interact. energy: -0.325 local terms energy: -63.709538 where: bonds (distance) C4'-P energy: -13.864 bonds (distance) P-C4' energy: -11.266 flat angles C4'-P-C4' energy: -11.580 flat angles P-C4'-P energy: -7.304 tors. eta vs tors. theta energy: -19.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 1 ===================================== Write number: 490 Temperature: 1.150000 Total energy: -187.941629 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.941629 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.941629 (E_RNA) where: Base-Base interactions energy: -128.617 where: short stacking energy: -58.017 Base-Backbone interact. energy: -0.075 local terms energy: -59.249791 where: bonds (distance) C4'-P energy: -9.973 bonds (distance) P-C4' energy: -13.474 flat angles C4'-P-C4' energy: -12.669 flat angles P-C4'-P energy: -7.767 tors. eta vs tors. theta energy: -15.367 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 9 ===================================== Write number: 490 Temperature: 1.200000 Total energy: -181.394354 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.394354 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.394354 (E_RNA) where: Base-Base interactions energy: -114.712 where: short stacking energy: -51.120 Base-Backbone interact. energy: -0.106 local terms energy: -66.576120 where: bonds (distance) C4'-P energy: -13.857 bonds (distance) P-C4' energy: -14.343 flat angles C4'-P-C4' energy: -13.444 flat angles P-C4'-P energy: -9.297 tors. eta vs tors. theta energy: -15.635 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 2 ===================================== Write number: 490 Temperature: 1.250000 Total energy: -176.824517 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.824517 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.824517 (E_RNA) where: Base-Base interactions energy: -117.987 where: short stacking energy: -54.299 Base-Backbone interact. energy: -0.000 local terms energy: -58.836901 where: bonds (distance) C4'-P energy: -9.100 bonds (distance) P-C4' energy: -12.145 flat angles C4'-P-C4' energy: -12.836 flat angles P-C4'-P energy: -8.549 tors. eta vs tors. theta energy: -16.208 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 490 Temperature: 1.300000 Total energy: -79.204692 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.204692 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.204692 (E_RNA) where: Base-Base interactions energy: -27.077 where: short stacking energy: -26.748 Base-Backbone interact. energy: -0.584 local terms energy: -51.543173 where: bonds (distance) C4'-P energy: -11.096 bonds (distance) P-C4' energy: -15.745 flat angles C4'-P-C4' energy: -14.268 flat angles P-C4'-P energy: -3.084 tors. eta vs tors. theta energy: -7.350 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 490 Temperature: 1.350000 Total energy: -74.362627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.362627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.362627 (E_RNA) where: Base-Base interactions energy: -26.738 where: short stacking energy: -26.738 Base-Backbone interact. energy: -0.117 local terms energy: -47.507469 where: bonds (distance) C4'-P energy: -14.250 bonds (distance) P-C4' energy: -11.745 flat angles C4'-P-C4' energy: -8.931 flat angles P-C4'-P energy: -6.735 tors. eta vs tors. theta energy: -5.846 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 5 ===================================== Write number: 491 Temperature: 0.900000 Total energy: -210.674657 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.674657 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.674657 (E_RNA) where: Base-Base interactions energy: -140.383 where: short stacking energy: -66.834 Base-Backbone interact. energy: -0.024 local terms energy: -70.267371 where: bonds (distance) C4'-P energy: -14.392 bonds (distance) P-C4' energy: -14.852 flat angles C4'-P-C4' energy: -14.042 flat angles P-C4'-P energy: -9.269 tors. eta vs tors. theta energy: -17.712 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 491 Temperature: 0.950000 Total energy: -214.038362 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -214.038362 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -214.038362 (E_RNA) where: Base-Base interactions energy: -145.899 where: short stacking energy: -71.025 Base-Backbone interact. energy: -0.020 local terms energy: -68.119803 where: bonds (distance) C4'-P energy: -12.073 bonds (distance) P-C4' energy: -12.522 flat angles C4'-P-C4' energy: -14.464 flat angles P-C4'-P energy: -11.092 tors. eta vs tors. theta energy: -17.969 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 491 Temperature: 1.000000 Total energy: -202.384856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.384856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.384856 (E_RNA) where: Base-Base interactions energy: -136.857 where: short stacking energy: -59.513 Base-Backbone interact. energy: 0.621 local terms energy: -66.148976 where: bonds (distance) C4'-P energy: -11.941 bonds (distance) P-C4' energy: -14.819 flat angles C4'-P-C4' energy: -12.865 flat angles P-C4'-P energy: -9.361 tors. eta vs tors. theta energy: -17.163 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 491 Temperature: 1.050000 Total energy: -196.838976 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.838976 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.838976 (E_RNA) where: Base-Base interactions energy: -128.188 where: short stacking energy: -65.620 Base-Backbone interact. energy: 0.225 local terms energy: -68.876267 where: bonds (distance) C4'-P energy: -11.240 bonds (distance) P-C4' energy: -14.831 flat angles C4'-P-C4' energy: -15.154 flat angles P-C4'-P energy: -9.766 tors. eta vs tors. theta energy: -17.886 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: 7 ===================================== Write number: 491 Temperature: 1.100000 Total energy: -188.652604 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.652604 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.652604 (E_RNA) where: Base-Base interactions energy: -125.162 where: short stacking energy: -63.277 Base-Backbone interact. energy: -0.004 local terms energy: -63.486539 where: bonds (distance) C4'-P energy: -12.938 bonds (distance) P-C4' energy: -10.207 flat angles C4'-P-C4' energy: -15.315 flat angles P-C4'-P energy: -6.648 tors. eta vs tors. theta energy: -18.379 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: 9 ===================================== Write number: 491 Temperature: 1.150000 Total energy: -176.841610 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -176.841610 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -176.841610 (E_RNA) where: Base-Base interactions energy: -118.473 where: short stacking energy: -50.419 Base-Backbone interact. energy: 0.100 local terms energy: -58.468813 where: bonds (distance) C4'-P energy: -11.629 bonds (distance) P-C4' energy: -9.441 flat angles C4'-P-C4' energy: -11.755 flat angles P-C4'-P energy: -11.472 tors. eta vs tors. theta energy: -14.171 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 491 Temperature: 1.200000 Total energy: -183.643525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.643525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.643525 (E_RNA) where: Base-Base interactions energy: -118.390 where: short stacking energy: -56.899 Base-Backbone interact. energy: -0.044 local terms energy: -65.209371 where: bonds (distance) C4'-P energy: -11.211 bonds (distance) P-C4' energy: -14.220 flat angles C4'-P-C4' energy: -14.075 flat angles P-C4'-P energy: -11.322 tors. eta vs tors. theta energy: -14.381 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: 2 ===================================== Write number: 491 Temperature: 1.250000 Total energy: -161.553975 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.553975 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.553975 (E_RNA) where: Base-Base interactions energy: -109.223 where: short stacking energy: -44.858 Base-Backbone interact. energy: -0.415 local terms energy: -51.916046 where: bonds (distance) C4'-P energy: -10.027 bonds (distance) P-C4' energy: -10.321 flat angles C4'-P-C4' energy: -12.570 flat angles P-C4'-P energy: -7.962 tors. eta vs tors. theta energy: -11.036 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 491 Temperature: 1.300000 Total energy: -77.278052 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.278052 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.278052 (E_RNA) where: Base-Base interactions energy: -27.735 where: short stacking energy: -21.416 Base-Backbone interact. energy: -0.029 local terms energy: -49.514010 where: bonds (distance) C4'-P energy: -11.294 bonds (distance) P-C4' energy: -15.842 flat angles C4'-P-C4' energy: -14.815 flat angles P-C4'-P energy: -5.685 tors. eta vs tors. theta energy: -1.879 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 491 Temperature: 1.350000 Total energy: -74.096888 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -74.096888 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -74.096888 (E_RNA) where: Base-Base interactions energy: -24.231 where: short stacking energy: -25.736 Base-Backbone interact. energy: -0.892 local terms energy: -48.973900 where: bonds (distance) C4'-P energy: -11.004 bonds (distance) P-C4' energy: -10.584 flat angles C4'-P-C4' energy: -13.600 flat angles P-C4'-P energy: -6.051 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: 1, replica: 4 ===================================== Write number: 492 Temperature: 0.900000 Total energy: -210.780358 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -210.780358 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -210.780358 (E_RNA) where: Base-Base interactions energy: -142.600 where: short stacking energy: -66.540 Base-Backbone interact. energy: -0.290 local terms energy: -67.890401 where: bonds (distance) C4'-P energy: -13.313 bonds (distance) P-C4' energy: -16.054 flat angles C4'-P-C4' energy: -13.497 flat angles P-C4'-P energy: -9.132 tors. eta vs tors. theta energy: -15.894 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 5 ===================================== Write number: 492 Temperature: 0.950000 Total energy: -203.872290 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.872290 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.872290 (E_RNA) where: Base-Base interactions energy: -133.181 where: short stacking energy: -61.894 Base-Backbone interact. energy: -0.000 local terms energy: -70.691139 where: bonds (distance) C4'-P energy: -13.036 bonds (distance) P-C4' energy: -13.016 flat angles C4'-P-C4' energy: -15.294 flat angles P-C4'-P energy: -9.462 tors. eta vs tors. theta energy: -19.883 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: 3 ===================================== Write number: 492 Temperature: 1.000000 Total energy: -198.856672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -198.856672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -198.856672 (E_RNA) where: Base-Base interactions energy: -128.877 where: short stacking energy: -67.628 Base-Backbone interact. energy: -0.023 local terms energy: -69.955923 where: bonds (distance) C4'-P energy: -12.434 bonds (distance) P-C4' energy: -14.671 flat angles C4'-P-C4' energy: -14.172 flat angles P-C4'-P energy: -9.928 tors. eta vs tors. theta energy: -18.750 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 492 Temperature: 1.050000 Total energy: -195.300520 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -195.300520 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -195.300520 (E_RNA) where: Base-Base interactions energy: -137.601 where: short stacking energy: -63.971 Base-Backbone interact. energy: -0.003 local terms energy: -57.696522 where: bonds (distance) C4'-P energy: -10.039 bonds (distance) P-C4' energy: -9.987 flat angles C4'-P-C4' energy: -12.607 flat angles P-C4'-P energy: -9.183 tors. eta vs tors. theta energy: -15.880 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: 9 ===================================== Write number: 492 Temperature: 1.100000 Total energy: -187.075314 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.075314 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.075314 (E_RNA) where: Base-Base interactions energy: -124.947 where: short stacking energy: -54.760 Base-Backbone interact. energy: -0.001 local terms energy: -62.126378 where: bonds (distance) C4'-P energy: -9.241 bonds (distance) P-C4' energy: -17.052 flat angles C4'-P-C4' energy: -10.966 flat angles P-C4'-P energy: -5.445 tors. eta vs tors. theta energy: -19.422 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 492 Temperature: 1.150000 Total energy: -187.085327 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.085327 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.085327 (E_RNA) where: Base-Base interactions energy: -126.735 where: short stacking energy: -53.206 Base-Backbone interact. energy: -0.043 local terms energy: -60.307968 where: bonds (distance) C4'-P energy: -14.420 bonds (distance) P-C4' energy: -7.796 flat angles C4'-P-C4' energy: -12.831 flat angles P-C4'-P energy: -7.208 tors. eta vs tors. theta energy: -18.053 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 492 Temperature: 1.200000 Total energy: -175.005619 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.005619 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.005619 (E_RNA) where: Base-Base interactions energy: -113.617 where: short stacking energy: -51.321 Base-Backbone interact. energy: -0.253 local terms energy: -61.136008 where: bonds (distance) C4'-P energy: -14.238 bonds (distance) P-C4' energy: -15.132 flat angles C4'-P-C4' energy: -13.549 flat angles P-C4'-P energy: -9.379 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: 8, replica: 1 ===================================== Write number: 492 Temperature: 1.250000 Total energy: -179.475627 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.475627 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.475627 (E_RNA) where: Base-Base interactions energy: -120.551 where: short stacking energy: -54.796 Base-Backbone interact. energy: 0.326 local terms energy: -59.251021 where: bonds (distance) C4'-P energy: -9.209 bonds (distance) P-C4' energy: -11.520 flat angles C4'-P-C4' energy: -11.883 flat angles P-C4'-P energy: -11.393 tors. eta vs tors. theta energy: -15.247 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 492 Temperature: 1.300000 Total energy: -76.984730 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -76.984730 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -76.984730 (E_RNA) where: Base-Base interactions energy: -33.398 where: short stacking energy: -33.398 Base-Backbone interact. energy: 0.035 local terms energy: -43.621597 where: bonds (distance) C4'-P energy: -11.384 bonds (distance) P-C4' energy: -12.175 flat angles C4'-P-C4' energy: -6.165 flat angles P-C4'-P energy: -6.386 tors. eta vs tors. theta energy: -7.511 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 492 Temperature: 1.350000 Total energy: -72.219135 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.219135 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.219135 (E_RNA) where: Base-Base interactions energy: -31.248 where: short stacking energy: -28.529 Base-Backbone interact. energy: -0.012 local terms energy: -40.958854 where: bonds (distance) C4'-P energy: -13.306 bonds (distance) P-C4' energy: -12.113 flat angles C4'-P-C4' energy: -8.949 flat angles P-C4'-P energy: -1.516 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: 1, replica: 4 ===================================== Write number: 493 Temperature: 0.900000 Total energy: -211.000282 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -211.000282 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -211.000282 (E_RNA) where: Base-Base interactions energy: -134.940 where: short stacking energy: -61.411 Base-Backbone interact. energy: -0.014 local terms energy: -76.046511 where: bonds (distance) C4'-P energy: -15.496 bonds (distance) P-C4' energy: -17.076 flat angles C4'-P-C4' energy: -14.850 flat angles P-C4'-P energy: -11.122 tors. eta vs tors. theta energy: -17.503 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 493 Temperature: 0.950000 Total energy: -202.989497 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -202.989497 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -202.989497 (E_RNA) where: Base-Base interactions energy: -144.628 where: short stacking energy: -60.933 Base-Backbone interact. energy: -0.528 local terms energy: -57.833094 where: bonds (distance) C4'-P energy: -8.190 bonds (distance) P-C4' energy: -14.948 flat angles C4'-P-C4' energy: -11.042 flat angles P-C4'-P energy: -7.382 tors. eta vs tors. theta energy: -16.271 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 5 ===================================== Write number: 493 Temperature: 1.000000 Total energy: -199.332539 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.332539 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.332539 (E_RNA) where: Base-Base interactions energy: -135.194 where: short stacking energy: -64.072 Base-Backbone interact. energy: -0.140 local terms energy: -63.998674 where: bonds (distance) C4'-P energy: -11.000 bonds (distance) P-C4' energy: -11.437 flat angles C4'-P-C4' energy: -13.862 flat angles P-C4'-P energy: -11.226 tors. eta vs tors. theta energy: -16.473 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 9 ===================================== Write number: 493 Temperature: 1.050000 Total energy: -199.830418 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.830418 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.830418 (E_RNA) where: Base-Base interactions energy: -132.002 where: short stacking energy: -53.296 Base-Backbone interact. energy: -0.286 local terms energy: -67.541736 where: bonds (distance) C4'-P energy: -12.296 bonds (distance) P-C4' energy: -12.183 flat angles C4'-P-C4' energy: -14.099 flat angles P-C4'-P energy: -12.289 tors. eta vs tors. theta energy: -16.674 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: 6 ===================================== Write number: 493 Temperature: 1.100000 Total energy: -191.713673 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.713673 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.713673 (E_RNA) where: Base-Base interactions energy: -125.295 where: short stacking energy: -57.655 Base-Backbone interact. energy: -0.000 local terms energy: -66.418819 where: bonds (distance) C4'-P energy: -11.737 bonds (distance) P-C4' energy: -12.890 flat angles C4'-P-C4' energy: -14.731 flat angles P-C4'-P energy: -9.021 tors. eta vs tors. theta energy: -18.040 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 493 Temperature: 1.150000 Total energy: -173.322608 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.322608 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.322608 (E_RNA) where: Base-Base interactions energy: -112.674 where: short stacking energy: -54.710 Base-Backbone interact. energy: -0.066 local terms energy: -60.582475 where: bonds (distance) C4'-P energy: -14.027 bonds (distance) P-C4' energy: -10.723 flat angles C4'-P-C4' energy: -12.567 flat angles P-C4'-P energy: -7.967 tors. eta vs tors. theta energy: -15.299 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 7 ===================================== Write number: 493 Temperature: 1.200000 Total energy: -182.886955 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -182.886955 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -182.886955 (E_RNA) where: Base-Base interactions energy: -124.903 where: short stacking energy: -55.616 Base-Backbone interact. energy: -0.319 local terms energy: -57.664990 where: bonds (distance) C4'-P energy: -10.761 bonds (distance) P-C4' energy: -12.515 flat angles C4'-P-C4' energy: -10.953 flat angles P-C4'-P energy: -7.292 tors. eta vs tors. theta energy: -16.144 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 493 Temperature: 1.250000 Total energy: -191.893722 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -191.893722 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -191.893722 (E_RNA) where: Base-Base interactions energy: -129.169 where: short stacking energy: -60.680 Base-Backbone interact. energy: 0.108 local terms energy: -62.833063 where: bonds (distance) C4'-P energy: -13.522 bonds (distance) P-C4' energy: -10.424 flat angles C4'-P-C4' energy: -13.426 flat angles P-C4'-P energy: -7.843 tors. eta vs tors. theta energy: -17.618 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 493 Temperature: 1.300000 Total energy: -72.165091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.165091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.165091 (E_RNA) where: Base-Base interactions energy: -25.661 where: short stacking energy: -25.661 Base-Backbone interact. energy: -0.072 local terms energy: -46.432327 where: bonds (distance) C4'-P energy: -10.293 bonds (distance) P-C4' energy: -13.683 flat angles C4'-P-C4' energy: -11.903 flat angles P-C4'-P energy: -8.795 tors. eta vs tors. theta energy: -1.758 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 493 Temperature: 1.350000 Total energy: -75.632525 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.632525 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.632525 (E_RNA) where: Base-Base interactions energy: -31.713 where: short stacking energy: -19.717 Base-Backbone interact. energy: -0.185 local terms energy: -43.735251 where: bonds (distance) C4'-P energy: -12.453 bonds (distance) P-C4' energy: -10.228 flat angles C4'-P-C4' energy: -12.169 flat angles P-C4'-P energy: -7.269 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: 4 ===================================== Write number: 494 Temperature: 0.900000 Total energy: -215.559905 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -215.559905 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -215.559905 (E_RNA) where: Base-Base interactions energy: -143.846 where: short stacking energy: -66.982 Base-Backbone interact. energy: 0.900 local terms energy: -72.613538 where: bonds (distance) C4'-P energy: -11.575 bonds (distance) P-C4' energy: -15.920 flat angles C4'-P-C4' energy: -16.251 flat angles P-C4'-P energy: -10.167 tors. eta vs tors. theta energy: -18.701 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 494 Temperature: 0.950000 Total energy: -204.696289 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.696289 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.696289 (E_RNA) where: Base-Base interactions energy: -131.493 where: short stacking energy: -61.497 Base-Backbone interact. energy: -0.011 local terms energy: -73.191953 where: bonds (distance) C4'-P energy: -13.368 bonds (distance) P-C4' energy: -15.883 flat angles C4'-P-C4' energy: -14.357 flat angles P-C4'-P energy: -8.213 tors. eta vs tors. theta energy: -21.371 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 494 Temperature: 1.000000 Total energy: -200.674317 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.674317 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.674317 (E_RNA) where: Base-Base interactions energy: -133.808 where: short stacking energy: -64.241 Base-Backbone interact. energy: -0.048 local terms energy: -66.818275 where: bonds (distance) C4'-P energy: -13.848 bonds (distance) P-C4' energy: -11.154 flat angles C4'-P-C4' energy: -13.278 flat angles P-C4'-P energy: -9.742 tors. eta vs tors. theta energy: -18.795 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 5 ===================================== Write number: 494 Temperature: 1.050000 Total energy: -194.892264 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.892264 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.892264 (E_RNA) where: Base-Base interactions energy: -128.772 where: short stacking energy: -64.391 Base-Backbone interact. energy: -0.095 local terms energy: -66.025299 where: bonds (distance) C4'-P energy: -12.777 bonds (distance) P-C4' energy: -12.361 flat angles C4'-P-C4' energy: -13.187 flat angles P-C4'-P energy: -10.843 tors. eta vs tors. theta energy: -16.857 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 494 Temperature: 1.100000 Total energy: -181.701644 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -181.701644 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -181.701644 (E_RNA) where: Base-Base interactions energy: -123.072 where: short stacking energy: -53.981 Base-Backbone interact. energy: -0.054 local terms energy: -58.576103 where: bonds (distance) C4'-P energy: -11.493 bonds (distance) P-C4' energy: -9.073 flat angles C4'-P-C4' energy: -13.907 flat angles P-C4'-P energy: -8.370 tors. eta vs tors. theta energy: -15.734 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 494 Temperature: 1.150000 Total energy: -177.219895 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.219895 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.219895 (E_RNA) where: Base-Base interactions energy: -123.199 where: short stacking energy: -56.057 Base-Backbone interact. energy: -0.124 local terms energy: -53.897027 where: bonds (distance) C4'-P energy: -3.797 bonds (distance) P-C4' energy: -13.396 flat angles C4'-P-C4' energy: -14.128 flat angles P-C4'-P energy: -9.289 tors. eta vs tors. theta energy: -13.287 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: 7 ===================================== Write number: 494 Temperature: 1.200000 Total energy: -167.940674 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.940674 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.940674 (E_RNA) where: Base-Base interactions energy: -110.935 where: short stacking energy: -51.962 Base-Backbone interact. energy: -0.001 local terms energy: -57.004759 where: bonds (distance) C4'-P energy: -10.231 bonds (distance) P-C4' energy: -12.059 flat angles C4'-P-C4' energy: -8.408 flat angles P-C4'-P energy: -9.962 tors. eta vs tors. theta energy: -16.344 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 494 Temperature: 1.250000 Total energy: -177.241492 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.241492 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.241492 (E_RNA) where: Base-Base interactions energy: -109.859 where: short stacking energy: -48.247 Base-Backbone interact. energy: -0.197 local terms energy: -67.185803 where: bonds (distance) C4'-P energy: -9.583 bonds (distance) P-C4' energy: -12.939 flat angles C4'-P-C4' energy: -16.320 flat angles P-C4'-P energy: -10.980 tors. eta vs tors. theta energy: -17.364 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 494 Temperature: 1.300000 Total energy: -89.029259 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -89.029259 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -89.029259 (E_RNA) where: Base-Base interactions energy: -43.331 where: short stacking energy: -40.135 Base-Backbone interact. energy: -0.082 local terms energy: -45.616640 where: bonds (distance) C4'-P energy: -9.672 bonds (distance) P-C4' energy: -9.860 flat angles C4'-P-C4' energy: -8.765 flat angles P-C4'-P energy: -7.823 tors. eta vs tors. theta energy: -9.497 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 494 Temperature: 1.350000 Total energy: -70.522300 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -70.522300 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -70.522300 (E_RNA) where: Base-Base interactions energy: -22.280 where: short stacking energy: -21.301 Base-Backbone interact. energy: -1.005 local terms energy: -47.236635 where: bonds (distance) C4'-P energy: -12.109 bonds (distance) P-C4' energy: -15.967 flat angles C4'-P-C4' energy: -10.549 flat angles P-C4'-P energy: -7.807 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: 1, replica: 4 ===================================== Write number: 495 Temperature: 0.900000 Total energy: -207.891043 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.891043 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.891043 (E_RNA) where: Base-Base interactions energy: -140.321 where: short stacking energy: -65.901 Base-Backbone interact. energy: -0.001 local terms energy: -67.569147 where: bonds (distance) C4'-P energy: -13.481 bonds (distance) P-C4' energy: -13.027 flat angles C4'-P-C4' energy: -12.646 flat angles P-C4'-P energy: -9.893 tors. eta vs tors. theta energy: -18.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 3 ===================================== Write number: 495 Temperature: 0.950000 Total energy: -209.275754 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -209.275754 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -209.275754 (E_RNA) where: Base-Base interactions energy: -141.580 where: short stacking energy: -66.290 Base-Backbone interact. energy: -0.017 local terms energy: -67.678825 where: bonds (distance) C4'-P energy: -12.325 bonds (distance) P-C4' energy: -14.519 flat angles C4'-P-C4' energy: -13.679 flat angles P-C4'-P energy: -6.513 tors. eta vs tors. theta energy: -20.643 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 495 Temperature: 1.000000 Total energy: -207.120163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.120163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.120163 (E_RNA) where: Base-Base interactions energy: -134.047 where: short stacking energy: -60.787 Base-Backbone interact. energy: -0.012 local terms energy: -73.061011 where: bonds (distance) C4'-P energy: -14.444 bonds (distance) P-C4' energy: -15.062 flat angles C4'-P-C4' energy: -14.997 flat angles P-C4'-P energy: -11.007 tors. eta vs tors. theta energy: -17.550 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: 6 ===================================== Write number: 495 Temperature: 1.050000 Total energy: -205.768634 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.768634 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.768634 (E_RNA) where: Base-Base interactions energy: -133.119 where: short stacking energy: -59.355 Base-Backbone interact. energy: -0.362 local terms energy: -72.287610 where: bonds (distance) C4'-P energy: -10.851 bonds (distance) P-C4' energy: -15.288 flat angles C4'-P-C4' energy: -16.528 flat angles P-C4'-P energy: -12.862 tors. eta vs tors. theta energy: -16.759 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: 5 ===================================== Write number: 495 Temperature: 1.100000 Total energy: -183.662395 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -183.662395 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -183.662395 (E_RNA) where: Base-Base interactions energy: -125.190 where: short stacking energy: -63.412 Base-Backbone interact. energy: -0.217 local terms energy: -58.255160 where: bonds (distance) C4'-P energy: -8.401 bonds (distance) P-C4' energy: -11.852 flat angles C4'-P-C4' energy: -11.016 flat angles P-C4'-P energy: -9.804 tors. eta vs tors. theta energy: -17.181 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 495 Temperature: 1.150000 Total energy: -175.395938 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -175.395938 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -175.395938 (E_RNA) where: Base-Base interactions energy: -117.429 where: short stacking energy: -51.019 Base-Backbone interact. energy: -0.043 local terms energy: -57.923201 where: bonds (distance) C4'-P energy: -13.993 bonds (distance) P-C4' energy: -13.691 flat angles C4'-P-C4' energy: -7.632 flat angles P-C4'-P energy: -8.432 tors. eta vs tors. theta energy: -14.175 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 495 Temperature: 1.200000 Total energy: -179.339611 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.339611 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.339611 (E_RNA) where: Base-Base interactions energy: -115.770 where: short stacking energy: -52.011 Base-Backbone interact. energy: 0.978 local terms energy: -64.547554 where: bonds (distance) C4'-P energy: -11.808 bonds (distance) P-C4' energy: -13.532 flat angles C4'-P-C4' energy: -9.528 flat angles P-C4'-P energy: -11.163 tors. eta vs tors. theta energy: -18.516 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 495 Temperature: 1.250000 Total energy: -162.317966 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -162.317966 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -162.317966 (E_RNA) where: Base-Base interactions energy: -114.973 where: short stacking energy: -44.739 Base-Backbone interact. energy: -1.085 local terms energy: -46.260217 where: bonds (distance) C4'-P energy: -14.805 bonds (distance) P-C4' energy: -9.472 flat angles C4'-P-C4' energy: -13.026 flat angles P-C4'-P energy: -3.750 tors. eta vs tors. theta energy: -5.207 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 495 Temperature: 1.300000 Total energy: -73.342187 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -73.342187 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -73.342187 (E_RNA) where: Base-Base interactions energy: -29.667 where: short stacking energy: -15.793 Base-Backbone interact. energy: 0.134 local terms energy: -43.808507 where: bonds (distance) C4'-P energy: -14.168 bonds (distance) P-C4' energy: -14.871 flat angles C4'-P-C4' energy: -6.691 flat angles P-C4'-P energy: -8.623 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: 10 ===================================== Write number: 495 Temperature: 1.350000 Total energy: -68.827213 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -68.827213 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -68.827213 (E_RNA) where: Base-Base interactions energy: -23.028 where: short stacking energy: -14.226 Base-Backbone interact. energy: -0.153 local terms energy: -45.646338 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -12.301 flat angles C4'-P-C4' energy: -12.508 flat angles P-C4'-P energy: -5.587 tors. eta vs tors. theta energy: -0.478 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 496 Temperature: 0.900000 Total energy: -205.061167 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.061167 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.061167 (E_RNA) where: Base-Base interactions energy: -137.567 where: short stacking energy: -61.587 Base-Backbone interact. energy: -0.141 local terms energy: -67.353723 where: bonds (distance) C4'-P energy: -12.698 bonds (distance) P-C4' energy: -15.815 flat angles C4'-P-C4' energy: -15.215 flat angles P-C4'-P energy: -7.963 tors. eta vs tors. theta energy: -15.663 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 496 Temperature: 0.950000 Total energy: -205.998099 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.998099 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.998099 (E_RNA) where: Base-Base interactions energy: -134.655 where: short stacking energy: -64.082 Base-Backbone interact. energy: -0.000 local terms energy: -71.342993 where: bonds (distance) C4'-P energy: -12.039 bonds (distance) P-C4' energy: -16.686 flat angles C4'-P-C4' energy: -13.592 flat angles P-C4'-P energy: -9.981 tors. eta vs tors. theta energy: -19.045 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 496 Temperature: 1.000000 Total energy: -204.099344 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.099344 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.099344 (E_RNA) where: Base-Base interactions energy: -145.265 where: short stacking energy: -64.526 Base-Backbone interact. energy: -0.173 local terms energy: -58.661319 where: bonds (distance) C4'-P energy: -12.768 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -9.168 flat angles P-C4'-P energy: -7.351 tors. eta vs tors. theta energy: -15.237 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 496 Temperature: 1.050000 Total energy: -206.813057 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.813057 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.813057 (E_RNA) where: Base-Base interactions energy: -134.407 where: short stacking energy: -64.788 Base-Backbone interact. energy: -0.091 local terms energy: -72.315389 where: bonds (distance) C4'-P energy: -15.111 bonds (distance) P-C4' energy: -15.184 flat angles C4'-P-C4' energy: -14.982 flat angles P-C4'-P energy: -9.870 tors. eta vs tors. theta energy: -17.168 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: 5 ===================================== Write number: 496 Temperature: 1.100000 Total energy: -178.626308 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.626308 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.626308 (E_RNA) where: Base-Base interactions energy: -116.500 where: short stacking energy: -44.545 Base-Backbone interact. energy: -0.027 local terms energy: -62.099374 where: bonds (distance) C4'-P energy: -11.087 bonds (distance) P-C4' energy: -13.801 flat angles C4'-P-C4' energy: -13.626 flat angles P-C4'-P energy: -8.223 tors. eta vs tors. theta energy: -15.363 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 7 ===================================== Write number: 496 Temperature: 1.150000 Total energy: -185.647448 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.647448 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.647448 (E_RNA) where: Base-Base interactions energy: -127.752 where: short stacking energy: -59.914 Base-Backbone interact. energy: -0.024 local terms energy: -57.871474 where: bonds (distance) C4'-P energy: -8.666 bonds (distance) P-C4' energy: -14.380 flat angles C4'-P-C4' energy: -11.975 flat angles P-C4'-P energy: -6.266 tors. eta vs tors. theta energy: -16.583 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 496 Temperature: 1.200000 Total energy: -169.695148 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -169.695148 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -169.695148 (E_RNA) where: Base-Base interactions energy: -107.751 where: short stacking energy: -49.679 Base-Backbone interact. energy: -0.077 local terms energy: -61.867244 where: bonds (distance) C4'-P energy: -13.974 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -11.408 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -11.961 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 496 Temperature: 1.250000 Total energy: -186.590695 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.590695 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.590695 (E_RNA) where: Base-Base interactions energy: -123.616 where: short stacking energy: -59.999 Base-Backbone interact. energy: -0.015 local terms energy: -62.960057 where: bonds (distance) C4'-P energy: -11.195 bonds (distance) P-C4' energy: -11.676 flat angles C4'-P-C4' energy: -12.580 flat angles P-C4'-P energy: -9.570 tors. eta vs tors. theta energy: -17.939 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 496 Temperature: 1.300000 Total energy: -79.210159 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -79.210159 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -79.210159 (E_RNA) where: Base-Base interactions energy: -31.049 where: short stacking energy: -28.215 Base-Backbone interact. energy: -0.221 local terms energy: -47.940036 where: bonds (distance) C4'-P energy: -7.982 bonds (distance) P-C4' energy: -16.647 flat angles C4'-P-C4' energy: -11.682 flat angles P-C4'-P energy: -7.814 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: 10, replica: 10 ===================================== Write number: 496 Temperature: 1.350000 Total energy: -69.157792 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -69.157792 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -69.157792 (E_RNA) where: Base-Base interactions energy: -28.929 where: short stacking energy: -23.440 Base-Backbone interact. energy: -0.275 local terms energy: -39.954107 where: bonds (distance) C4'-P energy: -10.603 bonds (distance) P-C4' energy: -13.884 flat angles C4'-P-C4' energy: -10.267 flat angles P-C4'-P energy: -6.226 tors. eta vs tors. theta energy: 1.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 3 ===================================== Write number: 497 Temperature: 0.900000 Total energy: -197.143351 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.143351 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.143351 (E_RNA) where: Base-Base interactions energy: -126.376 where: short stacking energy: -62.680 Base-Backbone interact. energy: -0.595 local terms energy: -70.172656 where: bonds (distance) C4'-P energy: -13.394 bonds (distance) P-C4' energy: -14.836 flat angles C4'-P-C4' energy: -15.337 flat angles P-C4'-P energy: -9.910 tors. eta vs tors. theta energy: -16.696 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 497 Temperature: 0.950000 Total energy: -206.344011 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -206.344011 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -206.344011 (E_RNA) where: Base-Base interactions energy: -137.301 where: short stacking energy: -65.750 Base-Backbone interact. energy: -0.016 local terms energy: -69.026756 where: bonds (distance) C4'-P energy: -14.026 bonds (distance) P-C4' energy: -16.432 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -7.872 tors. eta vs tors. theta energy: -17.722 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 497 Temperature: 1.000000 Total energy: -205.170091 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.170091 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.170091 (E_RNA) where: Base-Base interactions energy: -136.127 where: short stacking energy: -61.032 Base-Backbone interact. energy: -0.044 local terms energy: -68.999331 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -10.611 flat angles C4'-P-C4' energy: -14.576 flat angles P-C4'-P energy: -10.387 tors. eta vs tors. theta energy: -19.052 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 497 Temperature: 1.050000 Total energy: -196.979630 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -196.979630 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -196.979630 (E_RNA) where: Base-Base interactions energy: -129.985 where: short stacking energy: -55.585 Base-Backbone interact. energy: -0.154 local terms energy: -66.840711 where: bonds (distance) C4'-P energy: -11.890 bonds (distance) P-C4' energy: -15.280 flat angles C4'-P-C4' energy: -15.947 flat angles P-C4'-P energy: -7.162 tors. eta vs tors. theta energy: -16.562 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 5 ===================================== Write number: 497 Temperature: 1.100000 Total energy: -187.259158 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -187.259158 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -187.259158 (E_RNA) where: Base-Base interactions energy: -127.436 where: short stacking energy: -56.265 Base-Backbone interact. energy: -0.097 local terms energy: -59.726705 where: bonds (distance) C4'-P energy: -11.558 bonds (distance) P-C4' energy: -12.133 flat angles C4'-P-C4' energy: -12.975 flat angles P-C4'-P energy: -7.443 tors. eta vs tors. theta energy: -15.618 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: 7 ===================================== Write number: 497 Temperature: 1.150000 Total energy: -194.499890 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.499890 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.499890 (E_RNA) where: Base-Base interactions energy: -126.900 where: short stacking energy: -58.510 Base-Backbone interact. energy: -0.020 local terms energy: -67.579757 where: bonds (distance) C4'-P energy: -14.461 bonds (distance) P-C4' energy: -15.755 flat angles C4'-P-C4' energy: -12.538 flat angles P-C4'-P energy: -8.741 tors. eta vs tors. theta energy: -16.084 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 2 ===================================== Write number: 497 Temperature: 1.200000 Total energy: -184.052948 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.052948 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.052948 (E_RNA) where: Base-Base interactions energy: -113.342 where: short stacking energy: -56.313 Base-Backbone interact. energy: -0.087 local terms energy: -70.623967 where: bonds (distance) C4'-P energy: -14.854 bonds (distance) P-C4' energy: -14.843 flat angles C4'-P-C4' energy: -14.061 flat angles P-C4'-P energy: -9.994 tors. eta vs tors. theta energy: -16.873 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 1 ===================================== Write number: 497 Temperature: 1.250000 Total energy: -177.029660 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -177.029660 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -177.029660 (E_RNA) where: Base-Base interactions energy: -117.310 where: short stacking energy: -52.464 Base-Backbone interact. energy: -0.084 local terms energy: -59.635870 where: bonds (distance) C4'-P energy: -12.483 bonds (distance) P-C4' energy: -12.110 flat angles C4'-P-C4' energy: -11.437 flat angles P-C4'-P energy: -11.106 tors. eta vs tors. theta energy: -12.500 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 497 Temperature: 1.300000 Total energy: -77.699933 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -77.699933 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -77.699933 (E_RNA) where: Base-Base interactions energy: -32.160 where: short stacking energy: -32.160 Base-Backbone interact. energy: 0.079 local terms energy: -45.619291 where: bonds (distance) C4'-P energy: -11.440 bonds (distance) P-C4' energy: -11.074 flat angles C4'-P-C4' energy: -10.725 flat angles P-C4'-P energy: -8.805 tors. eta vs tors. theta energy: -3.575 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 497 Temperature: 1.350000 Total energy: -75.486390 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.486390 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.486390 (E_RNA) where: Base-Base interactions energy: -26.464 where: short stacking energy: -26.464 Base-Backbone interact. energy: -0.289 local terms energy: -48.733283 where: bonds (distance) C4'-P energy: -10.300 bonds (distance) P-C4' energy: -13.460 flat angles C4'-P-C4' energy: -12.710 flat angles P-C4'-P energy: -6.125 tors. eta vs tors. theta energy: -6.139 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: 498 Temperature: 0.900000 Total energy: -213.606189 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -213.606189 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -213.606189 (E_RNA) where: Base-Base interactions energy: -140.790 where: short stacking energy: -59.964 Base-Backbone interact. energy: -0.024 local terms energy: -72.792246 where: bonds (distance) C4'-P energy: -14.180 bonds (distance) P-C4' energy: -14.546 flat angles C4'-P-C4' energy: -15.420 flat angles P-C4'-P energy: -10.128 tors. eta vs tors. theta energy: -18.518 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: 2, replica: 3 ===================================== Write number: 498 Temperature: 0.950000 Total energy: -200.333856 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -200.333856 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -200.333856 (E_RNA) where: Base-Base interactions energy: -133.542 where: short stacking energy: -56.772 Base-Backbone interact. energy: -0.008 local terms energy: -66.783534 where: bonds (distance) C4'-P energy: -13.434 bonds (distance) P-C4' energy: -15.611 flat angles C4'-P-C4' energy: -13.201 flat angles P-C4'-P energy: -8.866 tors. eta vs tors. theta energy: -15.672 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 4 ===================================== Write number: 498 Temperature: 1.000000 Total energy: -205.277910 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -205.277910 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -205.277910 (E_RNA) where: Base-Base interactions energy: -133.200 where: short stacking energy: -58.977 Base-Backbone interact. energy: -0.014 local terms energy: -72.064448 where: bonds (distance) C4'-P energy: -15.028 bonds (distance) P-C4' energy: -14.703 flat angles C4'-P-C4' energy: -14.305 flat angles P-C4'-P energy: -10.859 tors. eta vs tors. theta energy: -17.170 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 4, replica: 6 ===================================== Write number: 498 Temperature: 1.050000 Total energy: -184.752192 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.752192 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.752192 (E_RNA) where: Base-Base interactions energy: -126.738 where: short stacking energy: -56.360 Base-Backbone interact. energy: -0.003 local terms energy: -58.011605 where: bonds (distance) C4'-P energy: -12.689 bonds (distance) P-C4' energy: -8.550 flat angles C4'-P-C4' energy: -15.306 flat angles P-C4'-P energy: -7.192 tors. eta vs tors. theta energy: -14.275 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 7 ===================================== Write number: 498 Temperature: 1.100000 Total energy: -185.435310 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.435310 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.435310 (E_RNA) where: Base-Base interactions energy: -129.102 where: short stacking energy: -60.645 Base-Backbone interact. energy: -0.150 local terms energy: -56.183792 where: bonds (distance) C4'-P energy: -13.004 bonds (distance) P-C4' energy: -13.451 flat angles C4'-P-C4' energy: -12.746 flat angles P-C4'-P energy: -6.066 tors. eta vs tors. theta energy: -10.918 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 5 ===================================== Write number: 498 Temperature: 1.150000 Total energy: -188.732302 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -188.732302 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -188.732302 (E_RNA) where: Base-Base interactions energy: -131.972 where: short stacking energy: -59.424 Base-Backbone interact. energy: 0.570 local terms energy: -57.330218 where: bonds (distance) C4'-P energy: -8.401 bonds (distance) P-C4' energy: -14.423 flat angles C4'-P-C4' energy: -8.844 flat angles P-C4'-P energy: -10.687 tors. eta vs tors. theta energy: -14.975 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: 2 ===================================== Write number: 498 Temperature: 1.200000 Total energy: -185.775602 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -185.775602 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -185.775602 (E_RNA) where: Base-Base interactions energy: -126.811 where: short stacking energy: -57.285 Base-Backbone interact. energy: -0.066 local terms energy: -58.897948 where: bonds (distance) C4'-P energy: -11.080 bonds (distance) P-C4' energy: -12.425 flat angles C4'-P-C4' energy: -10.440 flat angles P-C4'-P energy: -6.572 tors. eta vs tors. theta energy: -18.381 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: 1 ===================================== Write number: 498 Temperature: 1.250000 Total energy: -167.804426 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -167.804426 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -167.804426 (E_RNA) where: Base-Base interactions energy: -111.772 where: short stacking energy: -43.298 Base-Backbone interact. energy: 0.230 local terms energy: -56.262178 where: bonds (distance) C4'-P energy: -11.630 bonds (distance) P-C4' energy: -14.099 flat angles C4'-P-C4' energy: -12.767 flat angles P-C4'-P energy: -7.415 tors. eta vs tors. theta energy: -10.352 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 498 Temperature: 1.300000 Total energy: -80.833349 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.833349 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.833349 (E_RNA) where: Base-Base interactions energy: -32.685 where: short stacking energy: -32.685 Base-Backbone interact. energy: -0.569 local terms energy: -47.579264 where: bonds (distance) C4'-P energy: -11.479 bonds (distance) P-C4' energy: -10.436 flat angles C4'-P-C4' energy: -11.382 flat angles P-C4'-P energy: -7.661 tors. eta vs tors. theta energy: -6.621 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 498 Temperature: 1.350000 Total energy: -81.085735 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -81.085735 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -81.085735 (E_RNA) where: Base-Base interactions energy: -37.956 where: short stacking energy: -25.388 Base-Backbone interact. energy: -0.416 local terms energy: -42.713087 where: bonds (distance) C4'-P energy: -12.110 bonds (distance) P-C4' energy: -9.965 flat angles C4'-P-C4' energy: -11.535 flat angles P-C4'-P energy: -4.749 tors. eta vs tors. theta energy: -4.353 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 9 ===================================== Write number: 499 Temperature: 0.900000 Total energy: -207.009075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -207.009075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -207.009075 (E_RNA) where: Base-Base interactions energy: -134.992 where: short stacking energy: -65.990 Base-Backbone interact. energy: -0.033 local terms energy: -71.984144 where: bonds (distance) C4'-P energy: -14.957 bonds (distance) P-C4' energy: -14.039 flat angles C4'-P-C4' energy: -15.059 flat angles P-C4'-P energy: -9.903 tors. eta vs tors. theta energy: -18.026 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 4 ===================================== Write number: 499 Temperature: 0.950000 Total energy: -199.632112 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.632112 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.632112 (E_RNA) where: Base-Base interactions energy: -130.747 where: short stacking energy: -58.505 Base-Backbone interact. energy: -1.762 local terms energy: -67.123434 where: bonds (distance) C4'-P energy: -14.772 bonds (distance) P-C4' energy: -13.333 flat angles C4'-P-C4' energy: -16.338 flat angles P-C4'-P energy: -8.659 tors. eta vs tors. theta energy: -14.023 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 3 ===================================== Write number: 499 Temperature: 1.000000 Total energy: -204.128138 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.128138 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.128138 (E_RNA) where: Base-Base interactions energy: -135.723 where: short stacking energy: -59.102 Base-Backbone interact. energy: -0.079 local terms energy: -68.325536 where: bonds (distance) C4'-P energy: -11.775 bonds (distance) P-C4' energy: -16.131 flat angles C4'-P-C4' energy: -12.943 flat angles P-C4'-P energy: -11.789 tors. eta vs tors. theta energy: -15.686 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: 4, replica: 7 ===================================== Write number: 499 Temperature: 1.050000 Total energy: -184.997075 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.997075 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.997075 (E_RNA) where: Base-Base interactions energy: -126.995 where: short stacking energy: -49.725 Base-Backbone interact. energy: -0.231 local terms energy: -57.771690 where: bonds (distance) C4'-P energy: -14.398 bonds (distance) P-C4' energy: -10.084 flat angles C4'-P-C4' energy: -11.624 flat angles P-C4'-P energy: -8.939 tors. eta vs tors. theta energy: -12.727 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 6 ===================================== Write number: 499 Temperature: 1.100000 Total energy: -189.881703 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.881703 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.881703 (E_RNA) where: Base-Base interactions energy: -122.367 where: short stacking energy: -51.950 Base-Backbone interact. energy: -0.390 local terms energy: -67.124578 where: bonds (distance) C4'-P energy: -11.120 bonds (distance) P-C4' energy: -12.758 flat angles C4'-P-C4' energy: -12.333 flat angles P-C4'-P energy: -12.299 tors. eta vs tors. theta energy: -18.615 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 2 ===================================== Write number: 499 Temperature: 1.150000 Total energy: -189.865498 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.865498 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.865498 (E_RNA) where: Base-Base interactions energy: -127.811 where: short stacking energy: -57.821 Base-Backbone interact. energy: -0.024 local terms energy: -62.030029 where: bonds (distance) C4'-P energy: -10.048 bonds (distance) P-C4' energy: -14.998 flat angles C4'-P-C4' energy: -14.280 flat angles P-C4'-P energy: -7.434 tors. eta vs tors. theta energy: -15.269 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 5 ===================================== Write number: 499 Temperature: 1.200000 Total energy: -178.928374 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -178.928374 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -178.928374 (E_RNA) where: Base-Base interactions energy: -118.605 where: short stacking energy: -62.308 Base-Backbone interact. energy: -0.008 local terms energy: -60.315152 where: bonds (distance) C4'-P energy: -9.705 bonds (distance) P-C4' energy: -14.470 flat angles C4'-P-C4' energy: -13.452 flat angles P-C4'-P energy: -5.207 tors. eta vs tors. theta energy: -17.481 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: 499 Temperature: 1.250000 Total energy: -155.480676 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -155.480676 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -155.480676 (E_RNA) where: Base-Base interactions energy: -103.165 where: short stacking energy: -48.740 Base-Backbone interact. energy: -0.020 local terms energy: -52.295674 where: bonds (distance) C4'-P energy: -11.046 bonds (distance) P-C4' energy: -14.741 flat angles C4'-P-C4' energy: -13.089 flat angles P-C4'-P energy: -6.280 tors. eta vs tors. theta energy: -7.140 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 10 ===================================== Write number: 499 Temperature: 1.300000 Total energy: -90.919767 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.919767 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.919767 (E_RNA) where: Base-Base interactions energy: -45.829 where: short stacking energy: -14.612 Base-Backbone interact. energy: -0.687 local terms energy: -44.404327 where: bonds (distance) C4'-P energy: -14.307 bonds (distance) P-C4' energy: -16.855 flat angles C4'-P-C4' energy: -12.518 flat angles P-C4'-P energy: -1.948 tors. eta vs tors. theta energy: 1.224 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 8 ===================================== Write number: 499 Temperature: 1.350000 Total energy: -78.595750 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -78.595750 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -78.595750 (E_RNA) where: Base-Base interactions energy: -31.733 where: short stacking energy: -31.733 Base-Backbone interact. energy: -0.433 local terms energy: -46.429384 where: bonds (distance) C4'-P energy: -10.888 bonds (distance) P-C4' energy: -7.857 flat angles C4'-P-C4' energy: -15.128 flat angles P-C4'-P energy: -7.372 tors. eta vs tors. theta energy: -5.185 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 500 Temperature: 0.900000 Total energy: -203.250466 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -203.250466 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -203.250466 (E_RNA) where: Base-Base interactions energy: -130.767 where: short stacking energy: -66.174 Base-Backbone interact. energy: -0.152 local terms energy: -72.331110 where: bonds (distance) C4'-P energy: -13.459 bonds (distance) P-C4' energy: -16.097 flat angles C4'-P-C4' energy: -13.350 flat angles P-C4'-P energy: -11.799 tors. eta vs tors. theta energy: -17.626 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 9 ===================================== Write number: 500 Temperature: 0.950000 Total energy: -201.808206 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -201.808206 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -201.808206 (E_RNA) where: Base-Base interactions energy: -133.559 where: short stacking energy: -59.662 Base-Backbone interact. energy: -0.105 local terms energy: -68.144225 where: bonds (distance) C4'-P energy: -13.148 bonds (distance) P-C4' energy: -12.675 flat angles C4'-P-C4' energy: -14.735 flat angles P-C4'-P energy: -10.065 tors. eta vs tors. theta energy: -17.521 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 7 ===================================== Write number: 500 Temperature: 1.000000 Total energy: -199.055239 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -199.055239 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -199.055239 (E_RNA) where: Base-Base interactions energy: -134.800 where: short stacking energy: -62.460 Base-Backbone interact. energy: -0.858 local terms energy: -63.397434 where: bonds (distance) C4'-P energy: -11.721 bonds (distance) P-C4' energy: -13.826 flat angles C4'-P-C4' energy: -13.608 flat angles P-C4'-P energy: -7.251 tors. eta vs tors. theta energy: -16.991 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: 3 ===================================== Write number: 500 Temperature: 1.050000 Total energy: -197.542797 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -197.542797 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -197.542797 (E_RNA) where: Base-Base interactions energy: -132.060 where: short stacking energy: -54.922 Base-Backbone interact. energy: -0.047 local terms energy: -65.435241 where: bonds (distance) C4'-P energy: -11.050 bonds (distance) P-C4' energy: -16.390 flat angles C4'-P-C4' energy: -12.467 flat angles P-C4'-P energy: -8.449 tors. eta vs tors. theta energy: -17.080 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 500 Temperature: 1.100000 Total energy: -186.002530 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.002530 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.002530 (E_RNA) where: Base-Base interactions energy: -130.862 where: short stacking energy: -57.126 Base-Backbone interact. energy: -0.041 local terms energy: -55.099441 where: bonds (distance) C4'-P energy: -10.291 bonds (distance) P-C4' energy: -10.102 flat angles C4'-P-C4' energy: -10.604 flat angles P-C4'-P energy: -9.709 tors. eta vs tors. theta energy: -14.393 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 6, replica: 6 ===================================== Write number: 500 Temperature: 1.150000 Total energy: -168.199869 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -168.199869 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -168.199869 (E_RNA) where: Base-Base interactions energy: -115.809 where: short stacking energy: -47.935 Base-Backbone interact. energy: -0.053 local terms energy: -52.338436 where: bonds (distance) C4'-P energy: -13.588 bonds (distance) P-C4' energy: -14.177 flat angles C4'-P-C4' energy: -9.965 flat angles P-C4'-P energy: -4.473 tors. eta vs tors. theta energy: -10.135 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 1 ===================================== Write number: 500 Temperature: 1.200000 Total energy: -186.319557 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -186.319557 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -186.319557 (E_RNA) where: Base-Base interactions energy: -119.343 where: short stacking energy: -59.540 Base-Backbone interact. energy: -0.004 local terms energy: -66.972590 where: bonds (distance) C4'-P energy: -15.534 bonds (distance) P-C4' energy: -15.150 flat angles C4'-P-C4' energy: -13.245 flat angles P-C4'-P energy: -6.600 tors. eta vs tors. theta energy: -16.443 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: 8, replica: 5 ===================================== Write number: 500 Temperature: 1.250000 Total energy: -165.732190 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -165.732190 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -165.732190 (E_RNA) where: Base-Base interactions energy: -108.877 where: short stacking energy: -51.130 Base-Backbone interact. energy: -1.049 local terms energy: -55.806794 where: bonds (distance) C4'-P energy: -12.240 bonds (distance) P-C4' energy: -12.158 flat angles C4'-P-C4' energy: -12.772 flat angles P-C4'-P energy: -4.623 tors. eta vs tors. theta energy: -14.015 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 9, replica: 8 ===================================== Write number: 500 Temperature: 1.300000 Total energy: -75.928738 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -75.928738 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -75.928738 (E_RNA) where: Base-Base interactions energy: -30.105 where: short stacking energy: -25.626 Base-Backbone interact. energy: -0.100 local terms energy: -45.723914 where: bonds (distance) C4'-P energy: -11.769 bonds (distance) P-C4' energy: -15.355 flat angles C4'-P-C4' energy: -11.835 flat angles P-C4'-P energy: -5.462 tors. eta vs tors. theta energy: -1.304 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 500 Temperature: 1.350000 Total energy: -90.884163 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -90.884163 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -90.884163 (E_RNA) where: Base-Base interactions energy: -32.633 where: short stacking energy: -30.370 Base-Backbone interact. energy: -0.981 local terms energy: -57.270198 where: bonds (distance) C4'-P energy: -14.891 bonds (distance) P-C4' energy: -13.641 flat angles C4'-P-C4' energy: -12.462 flat angles P-C4'-P energy: -9.581 tors. eta vs tors. theta energy: -6.695 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 1, replica: 4 ===================================== Write number: 501 Temperature: 0.900000 Total energy: -204.949784 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.949784 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.949784 (E_RNA) where: Base-Base interactions energy: -132.807 where: short stacking energy: -61.038 Base-Backbone interact. energy: 0.612 local terms energy: -72.755031 where: bonds (distance) C4'-P energy: -14.346 bonds (distance) P-C4' energy: -14.138 flat angles C4'-P-C4' energy: -15.017 flat angles P-C4'-P energy: -9.634 tors. eta vs tors. theta energy: -19.620 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 2, replica: 7 ===================================== Write number: 501 Temperature: 0.950000 Total energy: -204.744672 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -204.744672 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -204.744672 (E_RNA) where: Base-Base interactions energy: -132.134 where: short stacking energy: -61.685 Base-Backbone interact. energy: -0.005 local terms energy: -72.606124 where: bonds (distance) C4'-P energy: -14.374 bonds (distance) P-C4' energy: -14.740 flat angles C4'-P-C4' energy: -14.344 flat angles P-C4'-P energy: -10.965 tors. eta vs tors. theta energy: -18.183 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 3, replica: 9 ===================================== Write number: 501 Temperature: 1.000000 Total energy: -189.079687 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -189.079687 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -189.079687 (E_RNA) where: Base-Base interactions energy: -120.225 where: short stacking energy: -51.035 Base-Backbone interact. energy: -0.112 local terms energy: -68.742504 where: bonds (distance) C4'-P energy: -14.764 bonds (distance) P-C4' energy: -14.271 flat angles C4'-P-C4' energy: -17.772 flat angles P-C4'-P energy: -8.102 tors. eta vs tors. theta energy: -13.834 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: 501 Temperature: 1.050000 Total energy: -194.067775 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -194.067775 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -194.067775 (E_RNA) where: Base-Base interactions energy: -131.738 where: short stacking energy: -53.865 Base-Backbone interact. energy: 1.121 local terms energy: -63.449977 where: bonds (distance) C4'-P energy: -10.388 bonds (distance) P-C4' energy: -15.494 flat angles C4'-P-C4' energy: -13.951 flat angles P-C4'-P energy: -9.408 tors. eta vs tors. theta energy: -14.209 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 5, replica: 2 ===================================== Write number: 501 Temperature: 1.100000 Total energy: -184.460505 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -184.460505 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -184.460505 (E_RNA) where: Base-Base interactions energy: -125.898 where: short stacking energy: -54.002 Base-Backbone interact. energy: 0.758 local terms energy: -59.321035 where: bonds (distance) C4'-P energy: -9.726 bonds (distance) P-C4' energy: -13.985 flat angles C4'-P-C4' energy: -12.597 flat angles P-C4'-P energy: -7.377 tors. eta vs tors. theta energy: -15.636 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: 1 ===================================== Write number: 501 Temperature: 1.150000 Total energy: -179.209482 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -179.209482 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -179.209482 (E_RNA) where: Base-Base interactions energy: -121.496 where: short stacking energy: -52.114 Base-Backbone interact. energy: -0.057 local terms energy: -57.656383 where: bonds (distance) C4'-P energy: -11.091 bonds (distance) P-C4' energy: -12.374 flat angles C4'-P-C4' energy: -12.762 flat angles P-C4'-P energy: -4.770 tors. eta vs tors. theta energy: -16.659 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 7, replica: 6 ===================================== Write number: 501 Temperature: 1.200000 Total energy: -173.773721 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -173.773721 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -173.773721 (E_RNA) where: Base-Base interactions energy: -116.666 where: short stacking energy: -55.538 Base-Backbone interact. energy: -0.030 local terms energy: -57.077767 where: bonds (distance) C4'-P energy: -10.549 bonds (distance) P-C4' energy: -14.761 flat angles C4'-P-C4' energy: -12.011 flat angles P-C4'-P energy: -6.292 tors. eta vs tors. theta energy: -13.464 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 8, replica: 5 ===================================== Write number: 501 Temperature: 1.250000 Total energy: -161.815174 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -161.815174 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -161.815174 (E_RNA) where: Base-Base interactions energy: -106.979 where: short stacking energy: -48.200 Base-Backbone interact. energy: -0.209 local terms energy: -54.627041 where: bonds (distance) C4'-P energy: -9.121 bonds (distance) P-C4' energy: -12.521 flat angles C4'-P-C4' energy: -8.075 flat angles P-C4'-P energy: -11.202 tors. eta vs tors. theta energy: -13.708 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: 9, replica: 8 ===================================== Write number: 501 Temperature: 1.300000 Total energy: -80.290641 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -80.290641 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -80.290641 (E_RNA) where: Base-Base interactions energy: -37.852 where: short stacking energy: -28.492 Base-Backbone interact. energy: -0.239 local terms energy: -42.198965 where: bonds (distance) C4'-P energy: -10.339 bonds (distance) P-C4' energy: -7.671 flat angles C4'-P-C4' energy: -11.141 flat angles P-C4'-P energy: -8.459 tors. eta vs tors. theta energy: -4.589 Dist. restrs. and SS energy: 0.000 (S_DIST_RNA) chem. prob. restrs. energy: 0.000 (S_CHEM_RNA) Limit. sphere exceed penalty: 0.000 (S_LIMSPR_RNA) ================================== temp. level: 10, replica: 10 ===================================== Write number: 501 Temperature: 1.350000 Total energy: -72.950980 (ES_TOTAL = E_TOTAL + S_TOTAL) where: RNA energy: -72.950980 (E_RNA + S_DIST_RNA + S_LIMSPR_RNA) where: Molecular energy: -72.950980 (E_RNA) where: Base-Base interactions energy: -28.983 where: short stacking energy: -26.488 Base-Backbone interact. energy: -0.102 local terms energy: -43.866372 where: bonds (distance) C4'-P energy: -14.668 bonds (distance) P-C4' energy: -12.619 flat angles C4'-P-C4' energy: -9.764 flat angles P-C4'-P energy: -2.822 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) replica 4 ended at temp. level: 1, temp: 0.900000 for this replica: moves confirmed at first: 14153460 moves confirmed later: 16696967 all moves confirmed: 30850427 percent of confirmed moves: 3.856303 current total energy: -182.553879 recalc. total energy: -182.553879 replica 7 ended at temp. level: 2, temp: 0.950000 for this replica: moves confirmed at first: 20222960 moves confirmed later: 24785952 all moves confirmed: 45008912 percent of confirmed moves: 5.626114 current total energy: -160.424481 recalc. total energy: -160.424481 replica 3 ended at temp. level: 3, temp: 1.000000 for this replica: moves confirmed at first: 14941096 moves confirmed later: 17744323 all moves confirmed: 32685419 percent of confirmed moves: 4.085677 current total energy: -168.296668 recalc. total energy: -168.296668 replica 9 ended at temp. level: 4, temp: 1.050000 for this replica: moves confirmed at first: 12381450 moves confirmed later: 14343589 all moves confirmed: 26725039 percent of confirmed moves: 3.340630 current total energy: -174.472615 recalc. total energy: -174.472615 replica 1 ended at temp. level: 5, temp: 1.100000 for this replica: moves confirmed at first: 12704942 moves confirmed later: 14777522 all moves confirmed: 27482464 percent of confirmed moves: 3.435308 current total energy: -136.102256 recalc. total energy: -136.102256 replica 2 ended at temp. level: 6, temp: 1.150000 for this replica: moves confirmed at first: 16632965 moves confirmed later: 20005650 all moves confirmed: 36638615 percent of confirmed moves: 4.579827 current total energy: -141.102742 recalc. total energy: -141.102742 replica 6 ended at temp. level: 7, temp: 1.200000 for this replica: moves confirmed at first: 12812039 moves confirmed later: 14906881 all moves confirmed: 27718920 percent of confirmed moves: 3.464865 current total energy: -124.032019 recalc. total energy: -124.032019 replica 5 ended at temp. level: 8, temp: 1.250000 for this replica: moves confirmed at first: 18407632 moves confirmed later: 22387499 all moves confirmed: 40795131 percent of confirmed moves: 5.099391 current total energy: -116.076134 recalc. total energy: -116.076134 replica 10 ended at temp. level: 9, temp: 1.300000 for this replica: moves confirmed at first: 16561742 moves confirmed later: 19896051 all moves confirmed: 36457793 percent of confirmed moves: 4.557224 current total energy: -29.558561 recalc. total energy: -29.558561 replica 8 ended at temp. level: 10, temp: 1.350000 for this replica: moves confirmed at first: 21953161 moves confirmed later: 27065916 all moves confirmed: 49019077 percent of confirmed moves: 6.127385 current total energy: -19.219093 recalc. total energy: -19.219093 out arg RESULTS//1/16160_5_UTR_CAGUGN-603ba8c3_01 Time of doing 8000000 iterations: 1776.030 seconds